ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate

C17H14FNO3S — CID 10496713

IUPACethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C
InChIInChI=1S/C17H14FNO3S/c1-3-22-17(21)15-14(10-4-6-11(18)7-5-10)12-8-23-9-13(12)16(20)19(15)2/h4-9H,3H2,1-2H3
InChIKeyWVEFIBHYHDCZLR-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.58
Rot. Bonds3

About ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate

ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate (PubChem CID 10496713) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate
PubChem CID10496713
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Nameethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C
InChIInChI=1S/C17H14FNO3S/c1-3-22-17(21)15-14(10-4-6-11(18)7-5-10)12-8-23-9-13(12)16(20)19(15)2/h4-9H,3H2,1-2H3
InChIKeyWVEFIBHYHDCZLR-UHFFFAOYSA-N
XLogP3.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate 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

Cambridge id 6988043
CID 802595
Ethyl 3-(4-fluorobenzoyl)-2-(1-phenylethyl)-1,3-thiazolidine-4-carboxylate
CID 45935143
7-(4-Fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylic acid
CID 10518523
Ethyl 2-[[2-(4-fluorobenzoyl)thiophene-3-carbonyl]-methylamino]acetate
CID 10521755
Ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate
CID 10545726
4-(4-Fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid
CID 10614368
7-(4-Fluoro-phenyl)-5-methyl-4-oxo-4,5-dihydro-thieno[3,4-C]pyridine-6-carboxylic acid
CID 10638142
Ethyl 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylate
CID 10687943
Ethyl 2-[[4-(4-fluorobenzoyl)thiophene-3-carbonyl]-methylamino]acetate
CID 10689134
Ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate
CID 10758881
Methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
CID 14770029
[4-(4-Ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone
CID 130252807

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate (CID 10496713) is ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C.
What is the InChIKey of ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate?
The InChIKey is WVEFIBHYHDCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-3-22-17(21)15-14(10-4-6-11(18)7-5-10)12-8-23-9-13(12)16(20)19(15)2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate?
ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 10496713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).