1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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

C70H70ClN23O15S — CID 158016422

IUPAC1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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
SMILESCC(=O)c1cccnc1Cl.COc1ccc(S(=O)(=O)n2nc(CCC(=O)O)c3cc(OC)ccc32)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
InChIInChI=1S/C18H18N2O6S.C8H7N3O3.C8H9N3O2.C8H9N3O.C7H6ClNO.C7H6N4O2.C7H8N4.C7H7N3/c1-25-12-3-6-14(7-4-12)27(23,24)20-17-9-5-13(26-2)11-15(17)16(19-20)8-10-18(21)22;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/h3-7,9,11H,8,10H2,1-2H3,(H,21,22);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)
InChIKeyFFNGQTWMDCZSMJ-UHFFFAOYSA-N
MW1541.00 g/mol
LogP9.93
Rot. Bonds14

About 1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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 158016422) has the molecular formula C70H70ClN23O15S and a molecular weight of 1541.00 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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 Name1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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 CID158016422
Molecular FormulaC70H70ClN23O15S
Molecular Weight1541.00 g/mol
Exact Mass1539.48
IUPAC Name1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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
SMILESCC(=O)c1cccnc1Cl.COc1ccc(S(=O)(=O)n2nc(CCC(=O)O)c3cc(OC)ccc32)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
InChIInChI=1S/C18H18N2O6S.C8H7N3O3.C8H9N3O2.C8H9N3O.C7H6ClNO.C7H6N4O2.C7H8N4.C7H7N3/c1-25-12-3-6-14(7-4-12)27(23,24)20-17-9-5-13(26-2)11-15(17)16(19-20)8-10-18(21)22;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/h3-7,9,11H,8,10H2,1-2H3,(H,21,22);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)
InChIKeyFFNGQTWMDCZSMJ-UHFFFAOYSA-N
XLogP9.93
TPSA541.48 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001541.00
LogP ≤ 59.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

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'}

Analyze 1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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 with MolForge

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Related Compounds

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
1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic 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 161837358

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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 158016422) is 1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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(CCC(=O)O)c3cc(OC)ccc32)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;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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 FFNGQTWMDCZSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S.C8H7N3O3.C8H9N3O2.C8H9N3O.C7H6ClNO.C7H6N4O2.C7H8N4.C7H7N3/c1-25-12-3-6-14(7-4-12)27(23,24)20-17-9-5-13(26-2)11-15(17)16(19-20)8-10-18(21)22;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/h3-7,9,11H,8,10H2,1-2H3,(H,21,22);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;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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 1541.00 g/mol, XLogP of 9.93, 14 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)ethanone;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindazol-3-yl]propanoic 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 158016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).