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

C19H12F3NOS — CID 94086334

IUPAC(7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cc(F)ccc2F)c2scc(-c3ccccc3F)c2N1
InChIInChI=1S/C19H12F3NOS/c20-10-5-6-16(22)12(7-10)13-8-17(24)23-18-14(9-25-19(13)18)11-3-1-2-4-15(11)21/h1-7,9,13H,8H2,(H,23,24)/t13-/m0/s1
InChIKeyAGHAXZWFPIHWIS-ZDUSSCGKSA-N
MW359.37 g/mol
LogP5.31
Rot. Bonds2

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

(7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 94086334) has the molecular formula C19H12F3NOS and a molecular weight of 359.37 g/mol. Its IUPAC name is (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID94086334
Molecular FormulaC19H12F3NOS
Molecular Weight359.37 g/mol
Exact Mass359.06
IUPAC Name(7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cc(F)ccc2F)c2scc(-c3ccccc3F)c2N1
InChIInChI=1S/C19H12F3NOS/c20-10-5-6-16(22)12(7-10)13-8-17(24)23-18-14(9-25-19(13)18)11-3-1-2-4-15(11)21/h1-7,9,13H,8H2,(H,23,24)/t13-/m0/s1
InChIKeyAGHAXZWFPIHWIS-ZDUSSCGKSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.37
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7R)-3-(2-fluorophenyl)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086255
(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
7-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811582
(7R)-7-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086356
7-(5-bromo-2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811594
(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
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
(7R)-3-(2-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086290
(7S)-7-(2-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086467

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 94086334) is (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@@H](c2cc(F)ccc2F)c2scc(-c3ccccc3F)c2N1.
What is the InChIKey of (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is AGHAXZWFPIHWIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H12F3NOS/c20-10-5-6-16(22)12(7-10)13-8-17(24)23-18-14(9-25-19(13)18)11-3-1-2-4-15(11)21/h1-7,9,13H,8H2,(H,23,24)/t13-/m0/s1.
What are the key properties of (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 359.37 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 94086334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).