3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C17H12FNOS2 — CID 50811673

IUPAC3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1CC(c2ccsc2)c2scc(-c3ccc(F)cc3)c2N1
InChIInChI=1S/C17H12FNOS2/c18-12-3-1-10(2-4-12)14-9-22-17-13(11-5-6-21-8-11)7-15(20)19-16(14)17/h1-6,8-9,13H,7H2,(H,19,20)
InChIKeyWVCXBLFGRIBTCO-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.09
Rot. Bonds2

About 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 50811673) has the molecular formula C17H12FNOS2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID50811673
Molecular FormulaC17H12FNOS2
Molecular Weight329.42 g/mol
Exact Mass329.03
IUPAC Name3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1CC(c2ccsc2)c2scc(-c3ccc(F)cc3)c2N1
InChIInChI=1S/C17H12FNOS2/c18-12-3-1-10(2-4-12)14-9-22-17-13(11-5-6-21-8-11)7-15(20)19-16(14)17/h1-6,8-9,13H,7H2,(H,19,20)
InChIKeyWVCXBLFGRIBTCO-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one 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

(7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086063
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539
7-(3,5-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811465
7-(5-bromo-2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811594
(7R)-7-(4-hydroxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715912
(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42553733
7-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811610
7-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811582
(7S)-7-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086602
(7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086391
(7S)-7-(3-bromophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086462
3-(4-fluorophenyl)-7-(3-methoxy-4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811430

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 50811673) is 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1CC(c2ccsc2)c2scc(-c3ccc(F)cc3)c2N1.
What is the InChIKey of 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is WVCXBLFGRIBTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS2/c18-12-3-1-10(2-4-12)14-9-22-17-13(11-5-6-21-8-11)7-15(20)19-16(14)17/h1-6,8-9,13H,7H2,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 329.42 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 50811673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).