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ZINC Item

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71551960

Analogs

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Popular Name: 7-methyl-6-[(3R)-3-[2-(o-tolyl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one 7-methyl-6-[(3R)-3-[2-(o-tolyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	9.58	-15.22	1	6	0	70	378.476	4	↓ MOL2 SDF SMILES Flexibase

71551962

Analogs

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Popular Name: 7-methyl-6-[(3S)-3-[2-(o-tolyl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one 7-methyl-6-[(3S)-3-[2-(o-tolyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	9.59	-15.28	1	6	0	70	378.476	4	↓ MOL2 SDF SMILES Flexibase

71589482

Analogs

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Popular Name: N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-7-methyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxa N-[(2-ethyl-3,5-dimethyl-1H-indo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	6.69	-16.22	3	7	0	95	377.448	4	↓ MOL2 SDF SMILES Flexibase

66635157

Analogs

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Popular Name: 5,7-dimethyl-6-[2-oxo-2-(4-pyrrolidin-1-yl-1-piperidyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one 5,7-dimethyl-6-[2-oxo-2-(4-pyrro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	7.69	-63.44	2	7	1	75	358.466	3	↓ MOL2 SDF SMILES Flexibase

69457071

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(o-tolylmethyl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	6.14	-22.12	2	6	0	79	324.384	4	↓ MOL2 SDF SMILES Flexibase

69457099

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-furylmethyl)-N-prop-2-ynyl-acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	7.14	-24.39	1	7	0	84	338.367	5	↓ MOL2 SDF SMILES Flexibase

69457861

Analogs

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Popular Name: N-(1-tert-butylpyrazol-4-yl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide N-(1-tert-butylpyrazol-4-yl)-2-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	5.01	-28.25	2	8	0	97	342.403	4	↓ MOL2 SDF SMILES Flexibase

69461220

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-furylmethyl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.24	3.34	-23.42	2	7	0	92	300.318	4	↓ MOL2 SDF SMILES Flexibase

69461394

Analogs

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Popular Name: [2-oxo-2-(pentylamino)ethyl] [2-oxo-2-(pentylamino)ethyl]

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	6.41	-23.07	2	8	0	106	348.403	9	↓ MOL2 SDF SMILES Flexibase

69483654

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.09	3.32	-21.94	2	8	0	106	306.322	5	↓ MOL2 SDF SMILES Flexibase

69484079

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(5-methylisoxazol-3-yl)methyl]ac 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.48	5.21	-23.61	1	8	0	97	329.36	4	↓ MOL2 SDF SMILES Flexibase

69509895

Analogs

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Popular Name: N-cyclopropyl-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-furylmethyl)acetamide N-cyclopropyl-2-(5,7-dimethyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	6.95	-24.06	1	7	0	84	340.383	5	↓ MOL2 SDF SMILES Flexibase

69521364

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-isopropyl-acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.57	3.17	-22.44	2	6	0	79	262.313	3	↓ MOL2 SDF SMILES Flexibase

69557413

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.34	1.36	-23.4	3	8	0	108	315.333	5	↓ MOL2 SDF SMILES Flexibase

69561014

Analogs

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Popular Name: N-(5-tert-butylisoxazol-3-yl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide N-(5-tert-butylisoxazol-3-yl)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.15	5.96	-24.44	2	8	0	105	343.387	4	↓ MOL2 SDF SMILES Flexibase

69702002

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-hydroxy-3-pyridyl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.03	3.03	-31.59	3	8	0	112	313.317	3	↓ MOL2 SDF SMILES Flexibase

69704515

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamid 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	6.11	-21.39	2	6	0	79	344.44	4	↓ MOL2 SDF SMILES Flexibase

69704519

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamid 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	6.1	-21.26	2	6	0	79	344.44	4	↓ MOL2 SDF SMILES Flexibase

69705078

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxy-3-methyl-phenyl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.27	-25.5	2	7	0	89	340.383	4	↓ MOL2 SDF SMILES Flexibase

65513639

Analogs

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Popular Name: N-[(3,5-difluorophenyl)methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide N-[(3,5-difluorophenyl)methyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	5.52	-23.66	2	6	0	79	346.337	4	↓ MOL2 SDF SMILES Flexibase

65515204

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-phenylpropyl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	6.93	-23.55	2	6	0	79	338.411	6	↓ MOL2 SDF SMILES Flexibase

65515208

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide N-(4-chloro-2-fluoro-phenyl)-2-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	5.9	-22.06	2	6	0	79	348.765	3	↓ MOL2 SDF SMILES Flexibase

65518994

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethyl-5-methyl-thiazol-2-yl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	5.52	-24.61	2	7	0	92	345.428	4	↓ MOL2 SDF SMILES Flexibase

65519106

Analogs

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Popular Name: N-[(3-cyanophenyl)methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-acetamide N-[(3-cyanophenyl)methyl]-2-(5,7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.27	7.88	-24.9	1	7	0	94	349.394	4	↓ MOL2 SDF SMILES Flexibase

65523543

Analogs

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Popular Name: [2-(cyclopentylamino)-2-oxo-ethyl] [2-(cyclopentylamino)-2-oxo-ethyl]

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	6.3	-22.98	2	8	0	106	346.387	6	↓ MOL2 SDF SMILES Flexibase

65535634

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	7.48	-22.37	1	6	0	70	330.432	3	↓ MOL2 SDF SMILES Flexibase

65552516

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	5.64	-25.23	1	6	0	70	330.31	5	↓ MOL2 SDF SMILES Flexibase

65553514

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-fluorophenyl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	5.32	-27.51	2	6	0	79	314.32	3	↓ MOL2 SDF SMILES Flexibase

65562595

Analogs

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Popular Name: [2-(cyclopropylamino)-2-oxo-ethyl] [2-(cyclopropylamino)-2-oxo-ethyl]

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.12	5	-23.26	2	8	0	106	318.333	6	↓ MOL2 SDF SMILES Flexibase

69743302

Analogs

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Popular Name: 5,7-dimethyl-6-[2-oxo-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one 5,7-dimethyl-6-[2-oxo-2-[(6S)-2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	5.39	-22.73	1	7	0	80	332.404	2	↓ MOL2 SDF SMILES Flexibase

69743303

Analogs

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Popular Name: 5,7-dimethyl-6-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one 5,7-dimethyl-6-[2-oxo-2-[(6R)-2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	5.4	-22.69	1	7	0	80	332.404	2	↓ MOL2 SDF SMILES Flexibase

69743324

Analogs

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Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide N-[[(1R)-cyclohex-3-en-1-yl]meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	5.66	-22.68	2	6	0	79	314.389	4	↓ MOL2 SDF SMILES Flexibase

69743326

Analogs

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Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide N-[[(1S)-cyclohex-3-en-1-yl]meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	5.66	-22.66	2	6	0	79	314.389	4	↓ MOL2 SDF SMILES Flexibase

69769492

Analogs

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Popular Name: 2-chloro-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-6-fluoro-benzamide 2-chloro-N-[(5,7-dimethyl-2-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	5.03	-18.01	2	6	0	79	348.765	3	↓ MOL2 SDF SMILES Flexibase

69775033

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylthiazol-2-yl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	4.85	-24.27	2	7	0	92	331.401	4	↓ MOL2 SDF SMILES Flexibase

67027303

Analogs

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Popular Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (3-phenyl-1,2,4-oxadiazol-5-yl)m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	6.49	-24.41	1	9	0	115	379.376	6	↓ MOL2 SDF SMILES Flexibase

67027306

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-ethynylphenyl)-N-isopropyl-acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	9.5	-25.83	1	6	0	70	362.433	4	↓ MOL2 SDF SMILES Flexibase

67027320

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-ethynylphenyl)-N-methyl-acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	8.2	-25.38	1	6	0	70	334.379	3	↓ MOL2 SDF SMILES Flexibase

67027324

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(4-fluorophenyl)-1-methyl-ethyl]acetami 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	6.73	-23.45	2	6	0	79	356.401	4	↓ MOL2 SDF SMILES Flexibase

67027419

Analogs

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Popular Name: (2-phenylthiazol-5-yl)methyl (2-phenylthiazol-5-yl)methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.33	9.08	-22.56	1	7	0	89	394.456	6	↓ MOL2 SDF SMILES Flexibase

67027423

Analogs

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Popular Name: (2-ethylthiazol-4-yl)methyl (2-ethylthiazol-4-yl)methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	6.49	-23.39	1	7	0	89	346.412	6	↓ MOL2 SDF SMILES Flexibase

67027426

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-methoxyethyl)-N-(3-pyridylmethyl)acetam 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.29	5.83	-24.08	1	8	0	93	369.425	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.29	6.3	-59.11	2	8	1	94	370.433	7	↓ MOL2 SDF SMILES Flexibase

67027555

Analogs

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Popular Name: N-(2-acetamido-4-chloro-phenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide N-(2-acetamido-4-chloro-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	5.01	-31.96	3	8	0	108	387.827	4	↓ MOL2 SDF SMILES Flexibase

69780595

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(5-isopropyl-4H-1,2,4-triazol-3-yl)acetami 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.51	5.94	-27.57	3	9	0	121	329.364	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.70	4.55	-44.8	2	9	-1	127	328.356	4	↓ MOL2 SDF SMILES Flexibase

67049571

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(m-tolylmethyl)ac N-(2-dimethylaminoethyl)-2-(5,7-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	10.32	-78.13	2	7	1	75	396.515	7	↓ MOL2 SDF SMILES Flexibase

69809480

Analogs

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Popular Name: N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide N-[(5,7-dimethyl-2-oxo-1H-pyrazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.94	4.66	-16.96	2	6	0	79	290.367	6	↓ MOL2 SDF SMILES Flexibase

69813042

Analogs

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Popular Name: 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1-methylindol-4-yl)acetamide 2-(5,7-dimethyl-2-oxo-1H-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	7.03	-26.03	2	7	0	84	349.394	3	↓ MOL2 SDF SMILES Flexibase

69820088

Analogs

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Popular Name: 2-chloro-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-fluoro-benzamide 2-chloro-N-[(5,7-dimethyl-2-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	5.27	-18.91	2	6	0	79	348.765	3	↓ MOL2 SDF SMILES Flexibase

67070784

Analogs

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Popular Name: N-(2-cyanoethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2-dimethylpropyl)aceta N-(2-cyanoethyl)-2-(5,7-dimethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.30	7.7	-28.69	1	7	0	94	343.431	6	↓ MOL2 SDF SMILES Flexibase

69922277

Analogs

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Popular Name: 5,7-dimethyl-6-[2-[(2R)-2-methylthiomorpholin-4-yl]-2-oxo-ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one 5,7-dimethyl-6-[2-[(2R)-2-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	6.01	-23.65	1	6	0	70	320.418	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 33487
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 33487 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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