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

C18H13F2N3O — CID 39047594

IUPAC(7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cc(F)ccc2F)c2ncn(-c3ccccc3)c2N1
InChIInChI=1S/C18H13F2N3O/c19-11-6-7-15(20)13(8-11)14-9-16(24)22-18-17(14)21-10-23(18)12-4-2-1-3-5-12/h1-8,10,14H,9H2,(H,22,24)/t14-/m0/s1
InChIKeyFRQXOSCLPPSBLJ-AWEZNQCLSA-N
MW325.32 g/mol
LogP3.62
Rot. Bonds2

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

(7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 39047594) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID39047594
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cc(F)ccc2F)c2ncn(-c3ccccc3)c2N1
InChIInChI=1S/C18H13F2N3O/c19-11-6-7-15(20)13(8-11)14-9-16(24)22-18-17(14)21-10-23(18)12-4-2-1-3-5-12/h1-8,10,14H,9H2,(H,22,24)/t14-/m0/s1
InChIKeyFRQXOSCLPPSBLJ-AWEZNQCLSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716845
(7S)-7-(3,4-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716825
(7R)-7-(3-fluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047660
(7R)-7-(2,3-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718739
(7R)-3,7-diphenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046442
(7R)-7-(3,4-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51971543
(7S)-3-(4-fluorophenyl)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717862
(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95119122
(7R)-7-(3-hydroxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047146
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940
(7R)-3-(4-fluorophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719836
7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45496047

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 39047594) is (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1C[C@@H](c2cc(F)ccc2F)c2ncn(-c3ccccc3)c2N1.
What is the InChIKey of (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is FRQXOSCLPPSBLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-11-6-7-15(20)13(8-11)14-9-16(24)22-18-17(14)21-10-23(18)12-4-2-1-3-5-12/h1-8,10,14H,9H2,(H,22,24)/t14-/m0/s1.
What are the key properties of (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 325.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 39047594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).