2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid

C15H12N2O4S — CID 1482206

IUPAC2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-c2cn3cc(C(=O)O)ccc3n2)cc1
InChIInChI=1S/C15H12N2O4S/c1-22(20,21)12-5-2-10(3-6-12)13-9-17-8-11(15(18)19)4-7-14(17)16-13/h2-9H,1H3,(H,18,19)
InChIKeyFYMLPOXBAZJDJK-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.10
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid

2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 1482206) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID1482206
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-c2cn3cc(C(=O)O)ccc3n2)cc1
InChIInChI=1S/C15H12N2O4S/c1-22(20,21)12-5-2-10(3-6-12)13-9-17-8-11(15(18)19)4-7-14(17)16-13/h2-9H,1H3,(H,18,19)
InChIKeyFYMLPOXBAZJDJK-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

Analyze 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 1482206) is 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid is CS(=O)(=O)c1ccc(-c2cn3cc(C(=O)O)ccc3n2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is FYMLPOXBAZJDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-22(20,21)12-5-2-10(3-6-12)13-9-17-8-11(15(18)19)4-7-14(17)16-13/h2-9H,1H3,(H,18,19).
What are the key properties of 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-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 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 1482206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).