7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

C21H16FNO3S — CID 53047058

IUPAC7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)sc3c2NC(=O)CC3c2cccc(F)c2)cc1
InChIInChI=1S/C21H16FNO3S/c1-11-5-7-12(8-6-11)17-18-19(27-20(17)21(25)26)15(10-16(24)23-18)13-3-2-4-14(22)9-13/h2-9,15H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyZJELVQZPBMPWFV-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.03
Rot. Bonds3

About 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 53047058) has the molecular formula C21H16FNO3S and a molecular weight of 381.43 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID53047058
Molecular FormulaC21H16FNO3S
Molecular Weight381.43 g/mol
Exact Mass381.08
IUPAC Name7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)sc3c2NC(=O)CC3c2cccc(F)c2)cc1
InChIInChI=1S/C21H16FNO3S/c1-11-5-7-12(8-6-11)17-18-19(27-20(17)21(25)26)15(10-16(24)23-18)13-3-2-4-14(22)9-13/h2-9,15H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyZJELVQZPBMPWFV-UHFFFAOYSA-N
XLogP5.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-Fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 16012569
5-Phenyl-3-[(4-phenylbenzoyl)amino]thiophene-2-carboxylic acid
CID 76332778
5-Oxo-3-phenyl-7-(thiophen-2-yl)-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
CID 16766770
4-(2-Oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoic acid
CID 42647449
3-(4-Methyl-benzoylamino)-5-phenyl-thiophene-2-carboxylic acid
CID 503527
3-[(2,6-Difluorobenzoyl)amino]-5-(4-propylphenyl)thiophene-2-carboxylic acid
CID 56643016
KSC-242-106-A3Cl5
CID 53470422
5-Oxo-3,7-diphenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
CID 16765633
7-(4-Hydroxyphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
CID 16765698
7-(3-Hydroxyphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
CID 16765699
3-(4-Fluorophenyl)-5-oxo-7-(thiophen-3-yl)-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
CID 16765721
5-Oxo-3-phenyl-7-(thiophen-3-yl)-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
CID 16766075

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (CID 53047058) is 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is Cc1ccc(-c2c(C(=O)O)sc3c2NC(=O)CC3c2cccc(F)c2)cc1.
What is the InChIKey of 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is ZJELVQZPBMPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3S/c1-11-5-7-12(8-6-11)17-18-19(27-20(17)21(25)26)15(10-16(24)23-18)13-3-2-4-14(22)9-13/h2-9,15H,10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 53047058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).