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

C20H16FNO2S — CID 42558770

IUPAC(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2)c2sccc2N1
InChIInChI=1S/C20H16FNO2S/c21-14-7-5-13(6-8-14)12-24-18-4-2-1-3-15(18)16-11-19(23)22-17-9-10-25-20(16)17/h1-10,16H,11-12H2,(H,22,23)/t16-/m0/s1
InChIKeyZZLAJJRMOJNZAA-INIZCTEOSA-N
MW353.42 g/mol
LogP4.94
Rot. Bonds4

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

(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42558770) has the molecular formula C20H16FNO2S and a molecular weight of 353.42 g/mol. Its IUPAC name is (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42558770
Molecular FormulaC20H16FNO2S
Molecular Weight353.42 g/mol
Exact Mass353.09
IUPAC Name(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2)c2sccc2N1
InChIInChI=1S/C20H16FNO2S/c21-14-7-5-13(6-8-14)12-24-18-4-2-1-3-15(18)16-11-19(23)22-17-9-10-25-20(16)17/h1-10,16H,11-12H2,(H,22,23)/t16-/m0/s1
InChIKeyZZLAJJRMOJNZAA-INIZCTEOSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-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

7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50945296
7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763364
(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559305
4-[2-[(4-fluorophenyl)methoxy]phenyl]-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-b]pyridin-2-one
CID 16766746
(7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590765
7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763630
(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590882
7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763366
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090
(7S)-7-[2-[(3-fluorophenyl)methoxy]phenyl]-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52901833
(7R)-2-amino-7-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556477
(7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42583230

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42558770) is (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2)c2sccc2N1.
What is the InChIKey of (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ZZLAJJRMOJNZAA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16FNO2S/c21-14-7-5-13(6-8-14)12-24-18-4-2-1-3-15(18)16-11-19(23)22-17-9-10-25-20(16)17/h1-10,16H,11-12H2,(H,22,23)/t16-/m0/s1.
What are the key properties of (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 353.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42558770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).