1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid

C15H12N2O4S — CID 171922177

IUPAC1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-c2nc(C(=O)O)n3ccccc23)cc1
InChIInChI=1S/C15H12N2O4S/c1-22(20,21)11-7-5-10(6-8-11)13-12-4-2-3-9-17(12)14(16-13)15(18)19/h2-9H,1H3,(H,18,19)
InChIKeyPUBIGDLBBIWPMR-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.10
Rot. Bonds3

About 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid

1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 171922177) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID171922177
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-c2nc(C(=O)O)n3ccccc23)cc1
InChIInChI=1S/C15H12N2O4S/c1-22(20,21)11-7-5-10(6-8-11)13-12-4-2-3-9-17(12)14(16-13)15(18)19/h2-9H,1H3,(H,18,19)
InChIKeyPUBIGDLBBIWPMR-UHFFFAOYSA-N
XLogP2.10
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-(1-phenylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207391
2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 122222300
[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 134795474
methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
CID 163207395
1-(4-chlorophenyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 134790691
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 121472971
N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 70943933
1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023387
1-methyl-3-(4-methylsulfonylphenyl)pyrazole-4-carboxylic acid
CID 43324444
3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 70024217

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid (CID 171922177) is 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid is CS(=O)(=O)c1ccc(-c2nc(C(=O)O)n3ccccc23)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is PUBIGDLBBIWPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-22(20,21)11-7-5-10(6-8-11)13-12-4-2-3-9-17(12)14(16-13)15(18)19/h2-9H,1H3,(H,18,19).
What are the key properties of 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid?
1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 171922177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).