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

C22H20FNOS — CID 50811519

IUPAC3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCC(C)c1ccc(C2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1
InChIInChI=1S/C22H20FNOS/c1-13(2)14-6-8-15(9-7-14)18-11-20(25)24-21-19(12-26-22(18)21)16-4-3-5-17(23)10-16/h3-10,12-13,18H,11H2,1-2H3,(H,24,25)
InChIKeyXLXUQWMYFNNVJY-UHFFFAOYSA-N
MW365.47 g/mol
LogP6.15
Rot. Bonds3

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

3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 50811519) has the molecular formula C22H20FNOS and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID50811519
Molecular FormulaC22H20FNOS
Molecular Weight365.47 g/mol
Exact Mass365.12
IUPAC Name3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCC(C)c1ccc(C2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1
InChIInChI=1S/C22H20FNOS/c1-13(2)14-6-8-15(9-7-14)18-11-20(25)24-21-19(12-26-22(18)21)16-4-3-5-17(23)10-16/h3-10,12-13,18H,11H2,1-2H3,(H,24,25)
InChIKeyXLXUQWMYFNNVJY-UHFFFAOYSA-N
XLogP6.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-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-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 50811519) is 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CC(C)c1ccc(C2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is XLXUQWMYFNNVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNOS/c1-13(2)14-6-8-15(9-7-14)18-11-20(25)24-21-19(12-26-22(18)21)16-4-3-5-17(23)10-16/h3-10,12-13,18H,11H2,1-2H3,(H,24,25).
What are the key properties of 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 365.47 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 50811519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).