3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one

C22H16FNOS — CID 69080014

IUPAC3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccccc1
InChIInChI=1S/C22H16FNOS/c23-17-11-8-15(9-12-17)10-13-19(25)21-20(16-5-2-1-3-6-16)18-7-4-14-24-22(18)26-21/h1-9,11-12,14H,10,13H2
InChIKeyTVQPYEVOIJXMFC-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.92
Rot. Bonds5

About 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one

3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one (PubChem CID 69080014) has the molecular formula C22H16FNOS and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
PubChem CID69080014
Molecular FormulaC22H16FNOS
Molecular Weight361.44 g/mol
Exact Mass361.09
IUPAC Name3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccccc1
InChIInChI=1S/C22H16FNOS/c23-17-11-8-15(9-12-17)10-13-19(25)21-20(16-5-2-1-3-6-16)18-7-4-14-24-22(18)26-21/h1-9,11-12,14H,10,13H2
InChIKeyTVQPYEVOIJXMFC-UHFFFAOYSA-N
XLogP5.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-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)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one (CID 69080014) is 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one is O=C(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The InChIKey is TVQPYEVOIJXMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNOS/c23-17-11-8-15(9-12-17)10-13-19(25)21-20(16-5-2-1-3-6-16)18-7-4-14-24-22(18)26-21/h1-9,11-12,14H,10,13H2.
What are the key properties of 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one has a molecular weight of 361.44 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 69080014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).