7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid

C18H18N4O4S — CID 55896060

IUPAC7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1nn(C)c2ncc(NS(=O)(=O)c3cc(C(=O)O)cc4c3CCC4)cc12
InChIInChI=1S/C18H18N4O4S/c1-10-15-8-13(9-19-17(15)22(2)20-10)21-27(25,26)16-7-12(18(23)24)6-11-4-3-5-14(11)16/h6-9,21H,3-5H2,1-2H3,(H,23,24)
InChIKeyVAUACYDOSFTOED-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.26
Rot. Bonds4

About 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid

7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 55896060) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID55896060
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1nn(C)c2ncc(NS(=O)(=O)c3cc(C(=O)O)cc4c3CCC4)cc12
InChIInChI=1S/C18H18N4O4S/c1-10-15-8-13(9-19-17(15)22(2)20-10)21-27(25,26)16-7-12(18(23)24)6-11-4-3-5-14(11)16/h6-9,21H,3-5H2,1-2H3,(H,23,24)
InChIKeyVAUACYDOSFTOED-UHFFFAOYSA-N
XLogP2.26
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Related Compounds

7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121307
5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 55766852
4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 24662850
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731289
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-fluorobenzenesulfonamide
CID 24650300
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide
CID 24662871
7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 166266051
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide
CID 71908720
7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 60533204
4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 24662861
7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121308
1-bromo-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanesulfonamide
CID 83093269

Frequently Asked Questions

What is the IUPAC name of 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 55896060) is 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1nn(C)c2ncc(NS(=O)(=O)c3cc(C(=O)O)cc4c3CCC4)cc12.
What is the InChIKey of 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is VAUACYDOSFTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-10-15-8-13(9-19-17(15)22(2)20-10)21-27(25,26)16-7-12(18(23)24)6-11-4-3-5-14(11)16/h6-9,21H,3-5H2,1-2H3,(H,23,24).
What are the key properties of 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid?
7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 55896060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).