5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C14H14N4O4S2 — CID 55766852

IUPAC5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)sc1C(=O)O
InChIInChI=1S/C14H14N4O4S2/c1-7-4-11(23-12(7)14(19)20)24(21,22)17-9-5-10-8(2)16-18(3)13(10)15-6-9/h4-6,17H,1-3H3,(H,19,20)
InChIKeyWIKPCHLRAATJGC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.15
Rot. Bonds4

About 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 55766852) has the molecular formula C14H14N4O4S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID55766852
Molecular FormulaC14H14N4O4S2
Molecular Weight366.42 g/mol
Exact Mass366.05
IUPAC Name5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)sc1C(=O)O
InChIInChI=1S/C14H14N4O4S2/c1-7-4-11(23-12(7)14(19)20)24(21,22)17-9-5-10-8(2)16-18(3)13(10)15-6-9/h4-6,17H,1-3H3,(H,19,20)
InChIKeyWIKPCHLRAATJGC-UHFFFAOYSA-N
XLogP2.15
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731289
7-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 55896060
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 24662850
1-bromo-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanesulfonamide
CID 83093269
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54920333
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-fluorobenzenesulfonamide
CID 24650300
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide
CID 71908720
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzenesulfonamide
CID 24662871
3-methyl-5-(pyrazin-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43616094
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 55766852) is 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)sc1C(=O)O.
What is the InChIKey of 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is WIKPCHLRAATJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S2/c1-7-4-11(23-12(7)14(19)20)24(21,22)17-9-5-10-8(2)16-18(3)13(10)15-6-9/h4-6,17H,1-3H3,(H,19,20).
What are the key properties of 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 55766852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).