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

C18H12F3N3O — CID 51716845

IUPAC(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2cc(F)ccc2F)c2ncn(-c3ccc(F)cc3)c2N1
InChIInChI=1S/C18H12F3N3O/c19-10-1-4-12(5-2-10)24-9-22-17-14(8-16(25)23-18(17)24)13-7-11(20)3-6-15(13)21/h1-7,9,14H,8H2,(H,23,25)/t14-/m1/s1
InChIKeyCXNUOSYINZSJKF-CQSZACIVSA-N
MW343.31 g/mol
LogP3.76
Rot. Bonds2

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

(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51716845) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51716845
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2cc(F)ccc2F)c2ncn(-c3ccc(F)cc3)c2N1
InChIInChI=1S/C18H12F3N3O/c19-10-1-4-12(5-2-10)24-9-22-17-14(8-16(25)23-18(17)24)13-7-11(20)3-6-15(13)21/h1-7,9,14H,8H2,(H,23,25)/t14-/m1/s1
InChIKeyCXNUOSYINZSJKF-CQSZACIVSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-7-(2,5-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047594
(7R)-7-(2,3-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718739
(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
(7S)-7-(3,4-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716825
(7R)-7-(3,4-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51971543
4-[(7S)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
CID 51718265
(7R)-3-(4-fluorophenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718414
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940
(7R)-3,7-diphenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046442
(7R)-7-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721364

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51716845) is (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1C[C@H](c2cc(F)ccc2F)c2ncn(-c3ccc(F)cc3)c2N1.
What is the InChIKey of (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is CXNUOSYINZSJKF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-10-1-4-12(5-2-10)24-9-22-17-14(8-16(25)23-18(17)24)13-7-11(20)3-6-15(13)21/h1-7,9,14H,8H2,(H,23,25)/t14-/m1/s1.
What are the key properties of (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 343.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51716845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).