2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid

C21H14ClFN2O3S — CID 58191270

IUPAC2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCc1cccn2c(F)c(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc12
InChIInChI=1S/C21H14ClFN2O3S/c1-11-3-2-8-25-19(23)17(24-20(11)25)15(26)9-13-10-29-18(16(13)21(27)28)12-4-6-14(22)7-5-12/h2-8,10H,9H2,1H3,(H,27,28)
InChIKeyQZAGTUNMZAEIBT-UHFFFAOYSA-N
MW428.87 g/mol
LogP5.29
Rot. Bonds5

About 2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid

2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 58191270) 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-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
PubChem CID58191270
Molecular FormulaC21H14ClFN2O3S
Molecular Weight428.87 g/mol
Exact Mass428.04
IUPAC Name2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCc1cccn2c(F)c(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc12
InChIInChI=1S/C21H14ClFN2O3S/c1-11-3-2-8-25-19(23)17(24-20(11)25)15(26)9-13-10-29-18(16(13)21(27)28)12-4-6-14(22)7-5-12/h2-8,10H,9H2,1H3,(H,27,28)
InChIKeyQZAGTUNMZAEIBT-UHFFFAOYSA-N
XLogP5.29
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (CID 58191270) is 2-(4-chlorophenyl)-4-[2-(3-fluoro-8-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-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is Cc1cccn2c(F)c(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The InChIKey is QZAGTUNMZAEIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O3S/c1-11-3-2-8-25-19(23)17(24-20(11)25)15(26)9-13-10-29-18(16(13)21(27)28)12-4-6-14(22)7-5-12/h2-8,10H,9H2,1H3,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
2-(4-chlorophenyl)-4-[2-(3-fluoro-8-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-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 58191270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).