2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid

C21H14ClFN2O3S — CID 58191337

About 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid

2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 58191337) has the molecular formula C21H14ClFN2O3S and a molecular weight of 428.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
• PubChem CID: 58191337
• Molecular Formula: C21H14ClFN2O3S
• Molecular Weight: 428.87 g/mol
• Exact Mass: 428.04
• IUPAC Name: 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
• SMILES: Cc1cccc2nc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)c(F)n12
• InChI: InChI=1S/C21H14ClFN2O3S/c1-11-3-2-4-16-24-18(20(23)25(11)16)15(26)9-13-10-29-19(17(13)21(27)28)12-5-7-14(22)8-6-12/h2-8,10H,9H2,1H3,(H,27,28)
• InChIKey: KXJSONRZWLYRHG-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 71.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.87
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?

The IUPAC name of 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (CID 58191337) is 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?

The canonical SMILES for 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is Cc1cccc2nc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)c(F)n12.

What is the InChIKey of 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?

The InChIKey is KXJSONRZWLYRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O3S/c1-11-3-2-4-16-24-18(20(23)25(11)16)15(26)9-13-10-29-19(17(13)21(27)28)12-5-7-14(22)8-6-12/h2-8,10H,9H2,1H3,(H,27,28).

What are the key properties of 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?

2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid has a molecular weight of 428.87 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 58191337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).