1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine

C67H65ClN24O15S — CID 158523919

About 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine

1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 158523919) has the molecular formula C67H65ClN24O15S and a molecular weight of 1513.93 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 158523919
• Molecular Formula: C67H65ClN24O15S
• Molecular Weight: 1513.93 g/mol
• Exact Mass: 1512.45
• IUPAC Name: 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine
• SMILES: CC(=O)c1cccnc1Cl.COc1ccc(S(=O)(=O)n2nc(C(=O)O)c3cc(OC)cnc32)cc1.COc1cnc2n[nH]c(C(=O)O)c2c1.COc1cnc2n[nH]c(C)c2c1.COc1cnc2n[nH]c(CO)c2c1.Cc1[nH]nc2ncc(N)cc12.Cc1[nH]nc2ncc([N+](=O)[O-])cc12.Cc1[nH]nc2ncccc12
• InChI: InChI=1S/C15H13N3O6S.C8H7N3O3.C8H9N3O2.C8H9N3O.C7H6ClNO.C7H6N4O2.C7H8N4.C7H7N3/c1-23-9-3-5-11(6-4-9)25(21,22)18-14-12(13(17-18)15(19)20)7-10(24-2)8-16-14;1-14-4-2-5-6(8(12)13)10-11-7(5)9-3-4;1-13-5-2-6-7(4-12)10-11-8(6)9-3-5;1-5-7-3-6(12-2)4-9-8(7)11-10-5;1-5(10)6-3-2-4-9-7(6)8;1-4-6-2-5(11(12)13)3-8-7(6)10-9-4;1-4-6-2-5(8)3-9-7(6)11-10-4;1-5-6-3-2-4-8-7(6)10-9-5/h3-8H,1-2H3,(H,19,20);2-3H,1H3,(H,12,13)(H,9,10,11);2-3,12H,4H2,1H3,(H,9,10,11);3-4H,1-2H3,(H,9,10,11);2-4H,1H3;2-3H,1H3,(H,8,9,10);2-3H,8H2,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10)
• InChIKey: HMOBCKSUHNARHL-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 554.37 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1513.93
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine (CID 158523919) is 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine is CC(=O)c1cccnc1Cl.COc1ccc(S(=O)(=O)n2nc(C(=O)O)c3cc(OC)cnc32)cc1.COc1cnc2n[nH]c(C(=O)O)c2c1.COc1cnc2n[nH]c(C)c2c1.COc1cnc2n[nH]c(CO)c2c1.Cc1[nH]nc2ncc(N)cc12.Cc1[nH]nc2ncc([N+](=O)[O-])cc12.Cc1[nH]nc2ncccc12.

What is the InChIKey of 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is HMOBCKSUHNARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6S.C8H7N3O3.C8H9N3O2.C8H9N3O.C7H6ClNO.C7H6N4O2.C7H8N4.C7H7N3/c1-23-9-3-5-11(6-4-9)25(21,22)18-14-12(13(17-18)15(19)20)7-10(24-2)8-16-14;1-14-4-2-5-6(8(12)13)10-11-7(5)9-3-4;1-13-5-2-6-7(4-12)10-11-8(6)9-3-5;1-5-7-3-6(12-2)4-9-8(7)11-10-5;1-5(10)6-3-2-4-9-7(6)8;1-4-6-2-5(11(12)13)3-8-7(6)10-9-4;1-4-6-2-5(8)3-9-7(6)11-10-4;1-5-6-3-2-4-8-7(6)10-9-5/h3-8H,1-2H3,(H,19,20);2-3H,1H3,(H,12,13)(H,9,10,11);2-3,12H,4H2,1H3,(H,9,10,11);3-4H,1-2H3,(H,9,10,11);2-4H,1H3;2-3H,1H3,(H,8,9,10);2-3H,8H2,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10).

What are the key properties of 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine?

1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1513.93 g/mol, XLogP of 9.01, 12 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-3-pyridinyl)ethanone;5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid;5-methoxy-3-methyl-2H-pyrazolo[3,4-b]pyridine;5-methoxy-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(5-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)methanol;3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine;3-methyl-2H-pyrazolo[3,4-b]pyridin-5-amine;3-methyl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158523919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).