(7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C16H11F2N3OS — CID 51973934

IUPAC(7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccsc2)c2ncn(-c3cc(F)cc(F)c3)c2N1
InChIInChI=1S/C16H11F2N3OS/c17-10-3-11(18)5-12(4-10)21-8-19-15-13(9-1-2-23-7-9)6-14(22)20-16(15)21/h1-5,7-8,13H,6H2,(H,20,22)/t13-/m0/s1
InChIKeyXLQZYFPGFBNIQB-ZDUSSCGKSA-N
MW331.35 g/mol
LogP3.69
Rot. Bonds2

About (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51973934) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51973934
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name(7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccsc2)c2ncn(-c3cc(F)cc(F)c3)c2N1
InChIInChI=1S/C16H11F2N3OS/c17-10-3-11(18)5-12(4-10)21-8-19-15-13(9-1-2-23-7-9)6-14(22)20-16(15)21/h1-5,7-8,13H,6H2,(H,20,22)/t13-/m0/s1
InChIKeyXLQZYFPGFBNIQB-ZDUSSCGKSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-3-(3-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973499
(7R)-3-(3,5-difluorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972950
(7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972417
(7R)-3-(4-fluorophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719836
(7S)-3-(4-fluorophenyl)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717862
(7R)-7-(3-fluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047660
(7R)-7-(3,4-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51971543
(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973916
(7R)-3,7-diphenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046442
(7S)-7-(3,4-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716825
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940
(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716845

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51973934) is (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1C[C@@H](c2ccsc2)c2ncn(-c3cc(F)cc(F)c3)c2N1.
What is the InChIKey of (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is XLQZYFPGFBNIQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-10-3-11(18)5-12(4-10)21-8-19-15-13(9-1-2-23-7-9)6-14(22)20-16(15)21/h1-5,7-8,13H,6H2,(H,20,22)/t13-/m0/s1.
What are the key properties of (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 331.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(3,5-difluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51973934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).