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

C20H19N3O4 — CID 51972181

IUPAC(7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C20H19N3O4/c1-26-14-7-8-16(17(9-14)27-2)23-11-21-19-15(10-18(25)22-20(19)23)12-3-5-13(24)6-4-12/h3-9,11,15,24H,10H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyYOAIJFIJXIXEGU-HNNXBMFYSA-N
MW365.39 g/mol
LogP3.07
Rot. Bonds4

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

(7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51972181) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51972181
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C20H19N3O4/c1-26-14-7-8-16(17(9-14)27-2)23-11-21-19-15(10-18(25)22-20(19)23)12-3-5-13(24)6-4-12/h3-9,11,15,24H,10H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyYOAIJFIJXIXEGU-HNNXBMFYSA-N
XLogP3.07
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S)-3-(2,4-dimethoxyphenyl)-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

(7R)-3-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973128
(7S)-3-(2,5-dimethoxyphenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51974297
(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721876
(7S)-7-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51802228
(7R)-3-(3,5-difluorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972950
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-3-(2-bromophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721685
(7S)-7-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719086
(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95166421
(7R)-3-(4-fluorophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719836
(7S)-3-(2-chlorophenyl)-7-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717709
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51972181) is (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(O)cc2)c(OC)c1.
What is the InChIKey of (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is YOAIJFIJXIXEGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-14-7-8-16(17(9-14)27-2)23-11-21-19-15(10-18(25)22-20(19)23)12-3-5-13(24)6-4-12/h3-9,11,15,24H,10H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 365.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(2,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51972181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).