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

C21H14ClFN2O3S — CID 58295413

IUPAC4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCc1cccc2nc(C(=O)Cc3scc(-c4ccc(Cl)cc4)c3C(=O)O)c(F)n12
InChIInChI=1S/C21H14ClFN2O3S/c1-11-3-2-4-17-24-19(20(23)25(11)17)15(26)9-16-18(21(27)28)14(10-29-16)12-5-7-13(22)8-6-12/h2-8,10H,9H2,1H3,(H,27,28)
InChIKeyGZAHHRBKEBFMFA-UHFFFAOYSA-N
MW428.87 g/mol
LogP5.29
Rot. Bonds5

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

4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 58295413) has the molecular formula C21H14ClFN2O3S and a molecular weight of 428.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
PubChem CID58295413
Molecular FormulaC21H14ClFN2O3S
Molecular Weight428.87 g/mol
Exact Mass428.04
IUPAC Name4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCc1cccc2nc(C(=O)Cc3scc(-c4ccc(Cl)cc4)c3C(=O)O)c(F)n12
InChIInChI=1S/C21H14ClFN2O3S/c1-11-3-2-4-17-24-19(20(23)25(11)17)15(26)9-16-18(21(27)28)14(10-29-16)12-5-7-13(22)8-6-12/h2-8,10H,9H2,1H3,(H,27,28)
InChIKeyGZAHHRBKEBFMFA-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 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (CID 58295413) is 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is Cc1cccc2nc(C(=O)Cc3scc(-c4ccc(Cl)cc4)c3C(=O)O)c(F)n12.
What is the InChIKey of 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The InChIKey is GZAHHRBKEBFMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O3S/c1-11-3-2-4-17-24-19(20(23)25(11)17)15(26)9-16-18(21(27)28)14(10-29-16)12-5-7-13(22)8-6-12/h2-8,10H,9H2,1H3,(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-[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 4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 58295413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).