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ZINC Item

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57280034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-methyl-7-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-(4-methylsulf…

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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)	0.18	3.92	-12.53	0	8	0	84	324.41	3	↓ MOL2 SDF SMILES Flexibase

57280036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-N,N-dimethyl-acetamide 2-[(1-ethyl-3-methyl-pyrazolo[4,…

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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)	-0.43	4.23	-10.48	1	7	0	76	262.317	4	↓ MOL2 SDF SMILES Flexibase

57280037

Analogs

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Popular Name: N-(cyclopentylmethyl)-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-(cyclopentylmethyl)-1-ethyl-3-…

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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)	2.45	7.34	-7.58	1	5	0	56	259.357	4	↓ MOL2 SDF SMILES Flexibase

57280039

Analogs

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Popular Name: 2-[(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-1-morpholino-ethanone 2-[(1-ethyl-3-methyl-pyrazolo[4,…

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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)	-0.14	3.84	-10.81	1	8	0	85	304.354	4	↓ MOL2 SDF SMILES Flexibase

57280042

Analogs

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Popular Name: 1-ethyl-N,N,3-trimethyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N,N,3-trimethyl-pyrazolo…

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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)	0.91	5.52	-7.43	0	5	0	47	205.265	2	↓ MOL2 SDF SMILES Flexibase

57280045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N,1-triethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N,N,1-triethyl-3-methyl-pyrazolo…

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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	6.95	-7.46	0	5	0	47	233.319	4	↓ MOL2 SDF SMILES Flexibase

57280046

Analogs

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Popular Name: 1-ethyl-N-isopropyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N-isopropyl-3-methyl-pyr…

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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	5.52	-8.02	1	5	0	56	219.292	3	↓ MOL2 SDF SMILES Flexibase

57280049

Analogs

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Popular Name: 4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)morpholine 4-(1-ethyl-3-methyl-pyrazolo[4,3…

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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)	0.76	5.02	-7.06	0	6	0	56	247.302	2	↓ MOL2 SDF SMILES Flexibase

57280050

Analogs

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Popular Name: N-cyclohexyl-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-cyclohexyl-1-ethyl-3-methyl-py…

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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)	2.57	7.39	-7.6	1	5	0	56	259.357	3	↓ MOL2 SDF SMILES Flexibase

57280052

Analogs

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Popular Name: N-butyl-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-butyl-1-ethyl-3-methyl-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)	2.10	6.22	-7.81	1	5	0	56	233.319	5	↓ MOL2 SDF SMILES Flexibase

57280054

Analogs

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Popular Name: 1-ethyl-3-methyl-N-propyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-propyl-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)	1.54	5.45	-7.92	1	5	0	56	219.292	4	↓ MOL2 SDF SMILES Flexibase

57280056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-cyclopentyl-1-ethyl-3-methyl-p…

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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)	2.06	6.85	-7.63	1	5	0	56	245.33	3	↓ MOL2 SDF SMILES Flexibase

57280058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-cyclopropyl-1-ethyl-3-methyl-p…

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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)	1.03	5.65	-7.74	1	5	0	56	217.276	3	↓ MOL2 SDF SMILES Flexibase

57280060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-(2-methoxyethyl)-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N-(2-methoxyethyl)-3-met…

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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)	0.65	3.75	-8.71	1	6	0	65	235.291	5	↓ MOL2 SDF SMILES Flexibase

57280061

Analogs

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Popular Name: 1-ethyl-3-methyl-7-[(2S)-2-methyl-1-piperidyl]pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-[(2S)-2-methy…

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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	7.42	-6.91	0	5	0	47	259.357	2	↓ MOL2 SDF SMILES Flexibase

57280063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-methyl-7-[(2R)-2-methyl-1-piperidyl]pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-[(2R)-2-methy…

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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	7.47	-6.94	0	5	0	47	259.357	2	↓ MOL2 SDF SMILES Flexibase

57280066

Analogs

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Popular Name: N-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)-N',N'-dimethyl-propane-1,3-diamine N-(1-ethyl-3-methyl-pyrazolo[4,3…

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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)	0.97	6.75	-46.13	2	6	1	60	263.369	6	↓ MOL2 SDF SMILES Flexibase

57280068

Analogs

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Popular Name: 7-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidine 7-[(3S,5R)-3,5-dimethyl-1-piperi…

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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)	2.53	8.6	-6.66	0	5	0	47	273.384	2	↓ MOL2 SDF SMILES Flexibase

57280069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidine 7-[(3S,5S)-3,5-dimethyl-1-piperi…

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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)	2.53	8.86	-6.31	0	5	0	47	273.384	2	↓ MOL2 SDF SMILES Flexibase

57280071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(3R,5R)-3,5-dimethyl-1-piperidyl]-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidine 7-[(3R,5R)-3,5-dimethyl-1-piperi…

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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)	2.53	8.77	-6.42	0	5	0	47	273.384	2	↓ MOL2 SDF SMILES Flexibase

57280073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxypropyl)-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-(3-ethoxypropyl)-1-ethyl-3-met…

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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	5.47	-8.57	1	6	0	65	263.345	7	↓ MOL2 SDF SMILES Flexibase

57280075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-(3-methoxypropyl)-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N-(3-methoxypropyl)-3-me…

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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)	0.92	4.5	-8.7	1	6	0	65	249.318	6	↓ MOL2 SDF SMILES Flexibase

57280077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-methyl-N-(2-morpholinoethyl)pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-(2-morpholino…

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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)	0.54	3.15	-9.42	1	7	0	68	290.371	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.54	5.42	-48.59	2	7	1	69	291.379	5	↓ MOL2 SDF SMILES Flexibase

57280080

Analogs

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Popular Name: 1-ethyl-3-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-(2,2,6,6-tetr…

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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	7.28	-43.36	3	6	1	72	317.461	3	↓ MOL2 SDF SMILES Flexibase

57280081

Analogs

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Popular Name: 1-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperidin-4-ol 1-(1-ethyl-3-methyl-pyrazolo[4,3…

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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)	-0.06	4.1	-9.34	1	6	0	67	261.329	2	↓ MOL2 SDF SMILES Flexibase

57280083

Analogs

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Popular Name: N-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)-N',N'-dimethyl-ethane-1,2-diamine N-(1-ethyl-3-methyl-pyrazolo[4,3…

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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)	0.70	5.97	-46.28	2	6	1	60	249.342	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.70	3.49	-8.15	1	6	0	59	248.334	5	↓ MOL2 SDF SMILES Flexibase

57280084

Analogs

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Popular Name: 1-ethyl-3-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-[[(2S)-tetrah…

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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)	1.04	4.97	-8.43	1	6	0	65	261.329	4	↓ MOL2 SDF SMILES Flexibase

57280087

Analogs

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Popular Name: 1-ethyl-3-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-[[(2R)-tetrah…

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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)	1.04	4.98	-8.51	1	6	0	65	261.329	4	↓ MOL2 SDF SMILES Flexibase

57280090

Analogs

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Popular Name: 1-ethyl-3-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-(4-methylpipe…

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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)	0.80	7.28	-44.9	1	6	1	51	261.353	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.80	4.94	-6.52	0	6	0	50	260.345	2	↓ MOL2 SDF SMILES Flexibase

57280092

Analogs

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Popular Name: 1-ethyl-3-methyl-7-(4-propylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-(4-propylpipe…

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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)	1.68	8.7	-44.27	1	6	1	51	289.407	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.68	6.48	-6.26	0	6	0	50	288.399	4	↓ MOL2 SDF SMILES Flexibase

57280094

Analogs

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Popular Name: 1-ethyl-7-(4-ethylpiperazin-1-yl)-3-methyl-pyrazolo[4,3-d]pyrimidine 1-ethyl-7-(4-ethylpiperazin-1-yl…

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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)	1.18	7.94	-43.45	1	6	1	51	275.38	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.18	5.73	-6.36	0	6	0	50	274.372	3	↓ MOL2 SDF SMILES Flexibase

57280096

Analogs

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Popular Name: (2S,6R)-4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)-2,6-dimethyl-morpholine (2S,6R)-4-(1-ethyl-3-methyl-pyra…

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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)	1.48	6.53	-6.77	0	6	0	56	275.356	2	↓ MOL2 SDF SMILES Flexibase

57280097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)-2,6-dimethyl-morpholine (2R,6R)-4-(1-ethyl-3-methyl-pyra…

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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)	1.48	6.68	-6.39	0	6	0	56	275.356	2	↓ MOL2 SDF SMILES Flexibase

57280099

Analogs

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Popular Name: (2S,6S)-4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)-2,6-dimethyl-morpholine (2S,6S)-4-(1-ethyl-3-methyl-pyra…

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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)	1.48	6.62	-6.46	0	6	0	56	275.356	2	↓ MOL2 SDF SMILES Flexibase

57280101

Analogs

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Popular Name: N',N'-diethyl-N-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)propane-1,3-diamine N',N'-diethyl-N-(1-ethyl-3-methy…

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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)	1.72	8.11	-44.33	2	6	1	60	291.423	8	↓ MOL2 SDF SMILES Flexibase

57280105

Analogs

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Popular Name: 1-ethyl-3-methyl-7-[(3S)-3-methyl-1-piperidyl]pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-[(3S)-3-methy…

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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)	2.06	8.01	-6.77	0	5	0	47	259.357	2	↓ MOL2 SDF SMILES Flexibase

57280106

Analogs

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Popular Name: 1-ethyl-3-methyl-7-[(3R)-3-methyl-1-piperidyl]pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-[(3R)-3-methy…

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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)	2.06	8.04	-6.84	0	5	0	47	259.357	2	↓ MOL2 SDF SMILES Flexibase

57280107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-methyl-7-(4-methyl-1-piperidyl)pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-(4-methyl-1-p…

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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)	2.06	8.05	-6.8	0	5	0	47	259.357	2	↓ MOL2 SDF SMILES Flexibase

57280109

Analogs

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Popular Name: ethyl 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)	1.25	7.08	-9.69	0	8	0	76	318.381	4	↓ MOL2 SDF SMILES Flexibase

57280111

Analogs

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Popular Name: ethyl 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)	1.92	8.98	-11.48	0	7	0	73	317.393	5	↓ MOL2 SDF SMILES Flexibase

57280113

Analogs

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Popular Name: 7-(azepan-1-yl)-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidine 7-(azepan-1-yl)-1-ethyl-3-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)	2.32	8.31	-6.71	0	5	0	47	259.357	2	↓ MOL2 SDF SMILES Flexibase

57280114

Analogs

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Popular Name: N',N'-diethyl-N-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)ethane-1,2-diamine N',N'-diethyl-N-(1-ethyl-3-methy…

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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)	1.45	7.33	-44.32	2	6	1	60	277.396	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.45	5.19	-7.84	1	6	0	59	276.388	7	↓ MOL2 SDF SMILES Flexibase

57280116

Analogs

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Popular Name: 1-ethyl-3-methyl-7-pyrrolidin-1-yl-pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-pyrrolidin-1-…

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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)	1.31	6.81	-7.57	0	5	0	47	231.303	2	↓ MOL2 SDF SMILES Flexibase

57280118

Analogs

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Popular Name: 1-ethyl-3-methyl-N-(3-morpholinopropyl)pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-(3-morpholino…

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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)	0.81	3.93	-9.7	1	7	0	68	304.398	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.81	6.2	-48.89	2	7	1	69	305.406	6	↓ MOL2 SDF SMILES Flexibase

57280119

Analogs

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Popular Name: 1-ethyl-N-isobutyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N-isobutyl-3-methyl-pyra…

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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)	1.79	6.15	-7.64	1	5	0	56	233.319	4	↓ MOL2 SDF SMILES Flexibase

57280121

Analogs

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Popular Name: 1-ethyl-N,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N,3-dimethyl-pyrazolo[4,…

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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)	0.66	3.85	-8.64	1	5	0	56	191.238	2	↓ MOL2 SDF SMILES Flexibase

57280122

Analogs

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Popular Name: N-allyl-1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N-allyl-1-ethyl-3-methyl-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)	1.31	5.22	-7.76	1	5	0	56	217.276	4	↓ MOL2 SDF SMILES Flexibase

57280123

Analogs

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Popular Name: 4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thiomorpholine 4-(1-ethyl-3-methyl-pyrazolo[4,3…

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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	7.2	-6.87	0	5	0	47	263.37	2	↓ MOL2 SDF SMILES Flexibase

57280125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-methyl-7-(1-piperidyl)pyrazolo[4,3-d]pyrimidine 1-ethyl-3-methyl-7-(1-piperidyl)…

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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	7.44	-6.89	0	5	0	47	245.33	2	↓ MOL2 SDF SMILES Flexibase

57280126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1-diethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-amine N,1-diethyl-3-methyl-pyrazolo[4,…

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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)	1.04	4.69	-8.13	1	5	0	56	205.265	3	↓ MOL2 SDF SMILES Flexibase

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