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

C20H12ClFN2O3S — CID 58191684

IUPAC2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1
InChIInChI=1S/C20H12ClFN2O3S/c21-13-5-3-11(4-6-13)19-18(20(26)27)12(10-28-19)8-17(25)15-9-16-14(22)2-1-7-24(16)23-15/h1-7,9-10H,8H2,(H,26,27)
InChIKeyHRLKYLRCWNFYMV-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.98
Rot. Bonds5

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

2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 58191684) has the molecular formula C20H12ClFN2O3S and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
PubChem CID58191684
Molecular FormulaC20H12ClFN2O3S
Molecular Weight414.85 g/mol
Exact Mass414.02
IUPAC Name2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1
InChIInChI=1S/C20H12ClFN2O3S/c21-13-5-3-11(4-6-13)19-18(20(26)27)12(10-28-19)8-17(25)15-9-16-14(22)2-1-7-24(16)23-15/h1-7,9-10H,8H2,(H,26,27)
InChIKeyHRLKYLRCWNFYMV-UHFFFAOYSA-N
XLogP4.98
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
CID 58191196
4-(2,3-difluoro-4-methylphenyl)-2-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;methane
CID 161014135
2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid
CID 58191357
2-(4-chlorophenyl)-4-[2-[1-(4-chlorophenyl)cyclopropyl]-2-oxoethyl]thiophene-3-carboxylic acid
CID 58191601
4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
CID 58295346
2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 67052256
4-(4-chlorophenyl)-2-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid
CID 58295460
4-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 83816614
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(4-cyclohexyl-2-oxobutyl)thiophene-3-carboxylic acid
CID 158968480
5-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 123135372
4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid
CID 58295624
2-(4-chlorophenyl)-4-[(2,4,5-trifluoro-3-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250619

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (CID 58191684) is 2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The InChIKey is HRLKYLRCWNFYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O3S/c21-13-5-3-11(4-6-13)19-18(20(26)27)12(10-28-19)8-17(25)15-9-16-14(22)2-1-7-24(16)23-15/h1-7,9-10H,8H2,(H,26,27).
What are the key properties of 2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
2-(4-chlorophenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid has a molecular weight of 414.85 g/mol, XLogP of 4.98, 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-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 58191684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).