6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid

C16H14N6O4S — CID 154796445

IUPAC6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid
SMILESCc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4c(C(=O)O)n[nH]c4c3)cc12
InChIInChI=1S/C16H14N6O4S/c1-8-12-6-10(7-17-15(12)22(2)20-8)27(25,26)21-9-3-4-11-13(5-9)18-19-14(11)16(23)24/h3-7,21H,1-2H3,(H,18,19)(H,23,24)
InChIKeyPCCQELJAHUBVIF-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.65
Rot. Bonds4

About 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid

6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid (PubChem CID 154796445) has the molecular formula C16H14N6O4S and a molecular weight of 386.39 g/mol. Its IUPAC name is 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid
PubChem CID154796445
Molecular FormulaC16H14N6O4S
Molecular Weight386.39 g/mol
Exact Mass386.08
IUPAC Name6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid
SMILESCc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4c(C(=O)O)n[nH]c4c3)cc12
InChIInChI=1S/C16H14N6O4S/c1-8-12-6-10(7-17-15(12)22(2)20-8)27(25,26)21-9-3-4-11-13(5-9)18-19-14(11)16(23)24/h3-7,21H,1-2H3,(H,18,19)(H,23,24)
InChIKeyPCCQELJAHUBVIF-UHFFFAOYSA-N
XLogP1.65
TPSA142.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-tert-butyl-2-hydroxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 136532770
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide
CID 71908720
1,3-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 167921366
4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 24662850
N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119976302
5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 55766852
1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 71857788
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 119960338
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119960337
7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 55896060
1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119964587
1,3-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 86878531

Frequently Asked Questions

What is the IUPAC name of 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid (CID 154796445) is 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid is Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4c(C(=O)O)n[nH]c4c3)cc12.
What is the InChIKey of 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid?
The InChIKey is PCCQELJAHUBVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O4S/c1-8-12-6-10(7-17-15(12)22(2)20-8)27(25,26)21-9-3-4-11-13(5-9)18-19-14(11)16(23)24/h3-7,21H,1-2H3,(H,18,19)(H,23,24).
What are the key properties of 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid?
6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid has a molecular weight of 386.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonylamino]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 154796445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).