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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44656531
44656531

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Popular Name: N-[3-(ethylcarbamoyl)phenyl]-6-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide N-[3-(ethylcarbamoyl)phenyl]-6-i…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 6.98 -21.43 2 7 0 89 379.464 5 ↓

Analogs

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Popular Name: 4,7-diisopropyl-N-(4-methylsulfanylphenyl)-5,7,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene-2-carbox 4,7-diisopropyl-N-(4-methylsulfa…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.28 0.26 -11.9 1 5 0 60 368.506 5 ↓

Analogs

25380137
25380137

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-1,3,6-trimethyl-pyrazolo[5,4-b]pyridine-4-carboxamide N-(5-chloro-2-methoxy-phenyl)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 6.62 -11.99 1 6 0 69 344.802 3 ↓

Analogs

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Popular Name: 1,6-diisopropyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide 1,6-diisopropyl-N-[4-methyl-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 6.14 -24.35 2 8 0 106 429.546 6 ↓

Analogs

25376631
25376631
25456360
25456360

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Popular Name: N-(3,4-diethoxyphenyl)-6-isopropyl-1,3-dimethyl-pyrazolo[5,4-b]pyridine-4-carboxamide N-(3,4-diethoxyphenyl)-6-isoprop…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.73 8.9 -14.08 1 7 0 78 396.491 7 ↓

Analogs

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Popular Name: 1,6-diisopropyl-N-(3-methanesulfonamido-4-methoxy-phenyl)pyrazolo[5,4-b]pyridine-4-carboxamide 1,6-diisopropyl-N-(3-methanesulf…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 5.11 -19.13 2 9 0 115 445.545 7 ↓
Hi High (pH 8-9.5) 3.07 5.15 -45.24 1 9 -1 117 444.537 7 ↓

Analogs

26084472
26084472
26084478
26084478
27984862
27984862
32901443
32901443
40128332
40128332

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(dimethylcarbamoyl)phenyl]-6-isopropyl-1,3-dimethyl-pyrazolo[5,4-b]pyridine-4-carboxamide N-[4-(dimethylcarbamoyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 7.54 -23.61 1 7 0 80 379.464 4 ↓

Analogs

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Popular Name: 1-isopropyl-6-methyl-N-[3-methyl-4-(pentanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide 1-isopropyl-6-methyl-N-[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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.29 9.87 -21.28 2 7 0 89 407.518 7 ↓

Analogs

25432603
25432603
25380588
25380588

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-difluorophenyl)-6-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide N-(2,6-difluorophenyl)-6-isoprop…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 8.01 -12.1 1 5 0 60 344.365 3 ↓

Analogs

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Popular Name: N-(3-ethynylphenyl)-N-isopropyl-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide N-(3-ethynylphenyl)-N-isopropyl-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.93 10.47 -9.98 0 5 0 51 346.434 3 ↓

Analogs

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Popular Name: N-(2-acetamido-5-methoxy-phenyl)-1,6-diisopropyl-pyrazolo[3,4-b]pyridine-4-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 7.5 -18.39 2 8 0 98 409.49 6 ↓

Parameters Provided:

ring.id = 3233
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 = 3233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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