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ZINC Item

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62286577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[2-ethoxy-5-(trifluoromethyl)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)	3.08	6.41	-10.91	2	6	0	80	364.327	5	↓ MOL2 SDF SMILES Flexibase

12538093

Analogs

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Popular Name: N-[4-(ethyl-isopropyl-amino)phenyl]-1,3-dimethyl-pyrazolo[4,5-e]pyridine-5-carboxamide N-[4-(ethyl-isopropyl-amino)phen…

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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)	3.04	8.76	-11.66	1	6	0	63	351.454	5	↓ MOL2 SDF SMILES Flexibase

13012308

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)	2.07	7.67	-12.25	1	7	0	86	338.367	4	↓ MOL2 SDF SMILES Flexibase

13258750

Analogs

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Popular Name: 3-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]-4-methyl-benzoic 3-[(1-isopropylpyrazolo[4,5-e]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)	2.69	7.69	-66.01	1	7	-1	100	337.359	4	↓ MOL2 SDF SMILES Flexibase

13259620

Analogs

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Popular Name: 3-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]benzoic 3-[(1-isopropylpyrazolo[4,5-e]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)	2.29	6.83	-65.49	1	7	-1	100	323.332	4	↓ MOL2 SDF SMILES Flexibase

13259839

Analogs

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Popular Name: 4-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]benzoic 4-[(1-isopropylpyrazolo[4,5-e]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)	2.32	6.86	-57.41	1	7	-1	100	323.332	4	↓ MOL2 SDF SMILES Flexibase

13260326

Analogs

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Popular Name: 5-chloro-2-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]benzoic 5-chloro-2-[(1-isopropylpyrazolo…

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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)	3.10	7.67	-46.69	1	7	-1	100	357.777	4	↓ MOL2 SDF SMILES Flexibase

13260516

Analogs

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Popular Name: 5-bromo-2-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]benzoic 5-bromo-2-[(1-isopropylpyrazolo[…

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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)	3.23	7.77	-46.63	1	7	-1	100	402.228	4	↓ MOL2 SDF SMILES Flexibase

13261069

Analogs

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Popular Name: 2-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]-4,5-dimethoxy-benzoic 2-[(1-isopropylpyrazolo[4,5-e]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)	2.07	6.41	-49.72	1	9	-1	118	383.384	6	↓ MOL2 SDF SMILES Flexibase

13261281

Analogs

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Popular Name: 5-chloro-4-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]-2-methoxy-benzoic 5-chloro-4-[(1-isopropylpyrazolo…

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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)	2.99	7.54	-56.76	1	8	-1	109	387.803	5	↓ MOL2 SDF SMILES Flexibase

13261501

Analogs

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Popular Name: 2-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]benzoic 2-[(1-isopropylpyrazolo[4,5-e]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)	2.45	7.17	-51.44	1	7	-1	100	323.332	4	↓ MOL2 SDF SMILES Flexibase

13425901

Analogs

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Popular Name: 4-chloro-2-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]benzoic 4-chloro-2-[(1-isopropylpyrazolo…

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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)	3.10	7.69	-46.07	1	7	-1	100	357.777	4	↓ MOL2 SDF SMILES Flexibase

13426165

Analogs

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Popular Name: 4-chloro-3-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]benzoic 4-chloro-3-[(1-isopropylpyrazolo…

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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)	2.92	7.46	-56.67	1	7	-1	100	357.777	4	↓ MOL2 SDF SMILES Flexibase

13428637

Analogs

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Popular Name: 4-fluoro-2-[(1-isopropylpyrazolo[4,5-e]pyridine-5-carbonyl)amino]benzoic 4-fluoro-2-[(1-isopropylpyrazolo…

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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)	2.59	7.24	-45.6	1	7	-1	100	341.322	4	↓ MOL2 SDF SMILES Flexibase

57273653

Analogs

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Popular Name: N-[2-(2-methoxyethoxy)phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[2-(2-methoxyethoxy)phenyl]-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)	1.72	4.64	-11.75	2	7	0	89	326.356	6	↓ MOL2 SDF SMILES Flexibase

58335295

Analogs

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Popular Name: N-[5-(ethylcarbamoyl)-2-methyl-phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[5-(ethylcarbamoyl)-2-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)	1.76	5.01	-19.91	3	7	0	100	337.383	4	↓ MOL2 SDF SMILES Flexibase

58517042

Analogs

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Popular Name: N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[3-chloro-4-(2-methoxyethylcar…

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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)	1.60	3.77	-19.8	3	8	0	109	387.827	6	↓ MOL2 SDF SMILES Flexibase

58529932

Analogs

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Popular Name: N-[4-(difluoromethoxy)-3-fluoro-phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[4-(difluoromethoxy)-3-fluoro-…

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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)	2.52	4.68	-14.51	2	6	0	80	336.273	4	↓ MOL2 SDF SMILES Flexibase

58535365

Analogs

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Popular Name: N-[3-(3-cyanopropoxy)phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[3-(3-cyanopropoxy)phenyl]-3-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)	1.58	6.59	-19.97	2	7	0	104	335.367	6	↓ MOL2 SDF SMILES Flexibase

58553331

Analogs

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Popular Name: N-(5-chloro-2-propoxy-phenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-(5-chloro-2-propoxy-phenyl)-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)	3.36	6.72	-9.74	2	6	0	80	344.802	5	↓ MOL2 SDF SMILES Flexibase

58566165

Analogs

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-(2-ethoxy-4-methyl-phenyl)-3-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)	2.63	6.07	-9.69	2	6	0	80	310.357	4	↓ MOL2 SDF SMILES Flexibase

14249255

Analogs

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Popular Name: N-[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]-1,3-dimethyl-pyrazolo[4,5-e]pyridine-5-carboxamide N-[3-(dimethylsulfamoyl)-4-ethox…

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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)	1.56	4.99	-22.94	1	9	0	106	417.491	6	↓ MOL2 SDF SMILES Flexibase

65495973

Analogs

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Popular Name: N-(4-fluorophenyl)-N,3-dimethyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-(4-fluorophenyl)-N,3-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)	2.23	6.04	-10.93	1	5	0	62	284.294	2	↓ MOL2 SDF SMILES Flexibase

65503652

Analogs

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Popular Name: N-(3-ethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-(3-ethoxyphenyl)-3-methyl-2H-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)	2.23	5.25	-13.3	2	6	0	80	296.33	4	↓ MOL2 SDF SMILES Flexibase

65503787

Analogs

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Popular Name: N-(3-chloro-4-propoxy-phenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-(3-chloro-4-propoxy-phenyl)-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)	3.36	6.6	-13.41	2	6	0	80	344.802	5	↓ MOL2 SDF SMILES Flexibase

65543017

Analogs

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Popular Name: 1-isopropyl-N-[2-(methoxymethyl)phenyl]-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxamide 1-isopropyl-N-[2-(methoxymethyl)…

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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)	2.70	7.93	-12.13	1	6	0	69	338.411	5	↓ MOL2 SDF SMILES Flexibase

66961068

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxamide N-(2,4-difluoro-5-nitro-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)	2.93	8.73	-14.63	1	8	0	106	375.335	4	↓ MOL2 SDF SMILES Flexibase

65577145

Analogs

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Popular Name: N-[3-fluoro-4-[isopropyl(methyl)amino]phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[3-fluoro-4-[isopropyl(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)	2.69	7.37	-13	2	6	0	74	341.39	4	↓ MOL2 SDF SMILES Flexibase

55642223

Analogs

55642224

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Popular Name: 3-methyl-N-[4-[(1R)-1-methylpropoxy]phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide 3-methyl-N-[4-[(1R)-1-methylprop…

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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)	3.12	6.69	-11.6	2	6	0	80	324.384	5	↓ MOL2 SDF SMILES Flexibase

55642224

Analogs

55642223

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Popular Name: 3-methyl-N-[4-[(1S)-1-methylpropoxy]phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide 3-methyl-N-[4-[(1S)-1-methylprop…

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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)	3.12	6.74	-11.04	2	6	0	80	324.384	5	↓ MOL2 SDF SMILES Flexibase

56115254

Analogs

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Popular Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[4-(dimethylamino)-2-(trifluor…

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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)	2.75	6.7	-8.81	2	6	0	74	363.343	4	↓ MOL2 SDF SMILES Flexibase

56152024

Analogs

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Popular Name: N-[3-chloro-4-(propylcarbamoyl)phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[3-chloro-4-(propylcarbamoyl)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)	2.50	5.45	-19.66	3	7	0	100	371.828	5	↓ MOL2 SDF SMILES Flexibase

56167374

Analogs

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Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-(2-bromo-4,5-dimethoxy-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)	2.20	5.01	-10.56	2	7	0	89	391.225	4	↓ MOL2 SDF SMILES Flexibase

56180548

Analogs

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Popular Name: N-(2-acetamido-5-methoxy-phenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-(2-acetamido-5-methoxy-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)	1.02	3.55	-16.84	3	8	0	109	339.355	4	↓ MOL2 SDF SMILES Flexibase

67045254

Analogs

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Popular Name: S-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl] S-[2-[(3-methyl-2H-pyrazolo[3,4-…

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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)	2.10	5.79	-14.92	2	7	0	91	355.423	4	↓ MOL2 SDF SMILES Flexibase

67045860

Analogs

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Popular Name: N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[2-fluoro-5-(trifluoromethyl)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)	2.81	6.16	-9.85	2	5	0	71	338.264	3	↓ MOL2 SDF SMILES Flexibase

67048913

Analogs

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Popular Name: S-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl] S-[4-[(3-methyl-2H-pyrazolo[3,4-…

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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)	2.15	5.7	-16.63	2	7	0	91	355.423	4	↓ MOL2 SDF SMILES Flexibase

67049141

Analogs

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Popular Name: N-[4-[methoxy(methyl)carbamoyl]phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide N-[4-[methoxy(methyl)carbamoyl]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)	1.22	5.16	-15.57	2	8	0	100	339.355	4	↓ MOL2 SDF SMILES Flexibase

67135191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-carbamoylphenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide N-(4-carbamoylphenyl)-3-methyl-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)	0.64	1.85	-18.37	4	7	0	114	295.302	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 48770
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript">
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