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

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Related Compounds

Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Methyl 2-[4-(methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 1482203
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 3508614
2-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4091566
2-[({Imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid
CID 3261728
2-[(5,7-Dimethyl-4-hydroimidazo[1,2-a]pyrimidin-2-yl)methylthio]pyridine-3-car boxylic acid
CID 3000168
2-[(6-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4225516
2-[(3-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
CID 4661848
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
CID 5126380
Methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359845
Methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359846

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).