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

C18H14BrN3O2 — CID 51721685

IUPAC(7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccc(O)cc2)c2ncn(-c3ccccc3Br)c2N1
InChIInChI=1S/C18H14BrN3O2/c19-14-3-1-2-4-15(14)22-10-20-17-13(9-16(24)21-18(17)22)11-5-7-12(23)8-6-11/h1-8,10,13,23H,9H2,(H,21,24)/t13-/m0/s1
InChIKeyMYXPVWKNWOYFGO-ZDUSSCGKSA-N
MW384.23 g/mol
LogP3.81
Rot. Bonds2

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

(7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51721685) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51721685
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name(7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2ccc(O)cc2)c2ncn(-c3ccccc3Br)c2N1
InChIInChI=1S/C18H14BrN3O2/c19-14-3-1-2-4-15(14)22-10-20-17-13(9-16(24)21-18(17)22)11-5-7-12(23)8-6-11/h1-8,10,13,23H,9H2,(H,21,24)/t13-/m0/s1
InChIKeyMYXPVWKNWOYFGO-ZDUSSCGKSA-N
XLogP3.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
CID 51717199
(7R)-3-(4-fluorophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719836
(7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972181
(7R)-3,7-diphenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046442
(7R)-7-(3-hydroxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047146
(7R)-7-(4-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972847
(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95119122
7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45491419
(7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973854
(7S)-3-(4-fluorophenyl)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717862
(7R)-7-(4-fluorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973940
(7S)-7-(3,4-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716825

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51721685) is (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1C[C@@H](c2ccc(O)cc2)c2ncn(-c3ccccc3Br)c2N1.
What is the InChIKey of (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is MYXPVWKNWOYFGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-14-3-1-2-4-15(14)22-10-20-17-13(9-16(24)21-18(17)22)11-5-7-12(23)8-6-11/h1-8,10,13,23H,9H2,(H,21,24)/t13-/m0/s1.
What are the key properties of (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 384.23 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51721685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).