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

C20H13ClN2O3S — CID 58295346

IUPAC4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
SMILESO=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccccc2n1
InChIInChI=1S/C20H13ClN2O3S/c21-13-6-4-12(5-7-13)14-11-27-17(19(14)20(25)26)9-16(24)15-10-23-8-2-1-3-18(23)22-15/h1-8,10-11H,9H2,(H,25,26)
InChIKeyHFSJGGIXRUEXSL-UHFFFAOYSA-N
MW396.86 g/mol
LogP4.84
Rot. Bonds5

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

4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid (PubChem CID 58295346) has the molecular formula C20H13ClN2O3S and a molecular weight of 396.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
PubChem CID58295346
Molecular FormulaC20H13ClN2O3S
Molecular Weight396.86 g/mol
Exact Mass396.03
IUPAC Name4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
SMILESO=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccccc2n1
InChIInChI=1S/C20H13ClN2O3S/c21-13-6-4-12(5-7-13)14-11-27-17(19(14)20(25)26)9-16(24)15-10-23-8-2-1-3-18(23)22-15/h1-8,10-11H,9H2,(H,25,26)
InChIKeyHFSJGGIXRUEXSL-UHFFFAOYSA-N
XLogP4.84
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-2-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid
CID 58295460
4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid
CID 58295624
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 8839003
4-(4-chlorophenyl)-2-[2-[1-(4-chlorophenyl)cyclopropyl]-2-oxoethyl]thiophene-3-carboxylic acid
CID 58417687
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(4-chloro-2-methylphenyl)thiophene-3-carboxylic acid
CID 58295540
2-[8-(3-carboxy-4-phenylthiophen-2-yl)-2,7-dioxooctyl]-4-phenylthiophene-3-carboxylic acid
CID 165002047
imidazo[1,2-a]pyridin-2-yl(phenyl)methanone
CID 14601288
imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 159608487
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid
CID 91557224
2-(4-chlorophenyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)acetamide
CID 122323070

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid (CID 58295346) is 4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid is O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccccc2n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid?
The InChIKey is HFSJGGIXRUEXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3S/c21-13-6-4-12(5-7-13)14-11-27-17(19(14)20(25)26)9-16(24)15-10-23-8-2-1-3-18(23)22-15/h1-8,10-11H,9H2,(H,25,26).
What are the key properties of 4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid has a molecular weight of 396.86 g/mol, XLogP of 4.84, 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-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 58295346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).