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

C19H14FNOS — CID 94086255

IUPAC(7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2)c2scc(-c3ccccc3F)c2N1
InChIInChI=1S/C19H14FNOS/c20-16-9-5-4-8-13(16)15-11-23-19-14(10-17(22)21-18(15)19)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,21,22)/t14-/m1/s1
InChIKeyVXBBXAUEJVFMGZ-CQSZACIVSA-N
MW323.39 g/mol
LogP5.03
Rot. Bonds2

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

(7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 94086255) has the molecular formula C19H14FNOS and a molecular weight of 323.39 g/mol. Its IUPAC name is (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID94086255
Molecular FormulaC19H14FNOS
Molecular Weight323.39 g/mol
Exact Mass323.08
IUPAC Name(7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2)c2scc(-c3ccccc3F)c2N1
InChIInChI=1S/C19H14FNOS/c20-16-9-5-4-8-13(16)15-11-23-19-14(10-17(22)21-18(15)19)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,21,22)/t14-/m1/s1
InChIKeyVXBBXAUEJVFMGZ-CQSZACIVSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid
CID 94086361
7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811402
(7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086334
(7R)-3-(2-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086290
(7S)-3-(2-fluorophenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086317
(7R)-7-(2-ethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086264
(7R)-7-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086356
(7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086268
(7S)-7-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086353
(7R)-7-(4-hydroxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715912
(7S)-3-(2-fluorophenyl)-7-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086321
(7S)-3-(3,4-dimethoxyphenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 26433683

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 94086255) is (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@H](c2ccccc2)c2scc(-c3ccccc3F)c2N1.
What is the InChIKey of (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is VXBBXAUEJVFMGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H14FNOS/c20-16-9-5-4-8-13(16)15-11-23-19-14(10-17(22)21-18(15)19)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,21,22)/t14-/m1/s1.
What are the key properties of (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 323.39 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 94086255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).