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

C22H20FNO2S — CID 50811692

IUPAC3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCCOc1ccccc1C1CC(=O)Nc2c(-c3ccc(F)cc3)csc21
InChIInChI=1S/C22H20FNO2S/c1-2-11-26-19-6-4-3-5-16(19)17-12-20(25)24-21-18(13-27-22(17)21)14-7-9-15(23)10-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,24,25)
InChIKeyQUZMIPRKQXFFIC-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.82
Rot. Bonds5

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

3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 50811692) has the molecular formula C22H20FNO2S and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID50811692
Molecular FormulaC22H20FNO2S
Molecular Weight381.47 g/mol
Exact Mass381.12
IUPAC Name3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCCOc1ccccc1C1CC(=O)Nc2c(-c3ccc(F)cc3)csc21
InChIInChI=1S/C22H20FNO2S/c1-2-11-26-19-6-4-3-5-16(19)17-12-20(25)24-21-18(13-27-22(17)21)14-7-9-15(23)10-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,24,25)
InChIKeyQUZMIPRKQXFFIC-UHFFFAOYSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 50811692) is 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCCOc1ccccc1C1CC(=O)Nc2c(-c3ccc(F)cc3)csc21.
What is the InChIKey of 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is QUZMIPRKQXFFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2S/c1-2-11-26-19-6-4-3-5-16(19)17-12-20(25)24-21-18(13-27-22(17)21)14-7-9-15(23)10-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 381.47 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 50811692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).