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

C20H19N3O3 — CID 51721876

IUPAC(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)cc1
InChIInChI=1S/C20H19N3O3/c1-25-15-8-6-13(7-9-15)17-11-18(24)22-20-19(17)21-12-23(20)14-4-3-5-16(10-14)26-2/h3-10,12,17H,11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyOSHNSWZLCHPYPU-KRWDZBQOSA-N
MW349.39 g/mol
LogP3.36
Rot. Bonds4

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

(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51721876) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51721876
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)cc1
InChIInChI=1S/C20H19N3O3/c1-25-15-8-6-13(7-9-15)17-11-18(24)22-20-19(17)21-12-23(20)14-4-3-5-16(10-14)26-2/h3-10,12,17H,11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyOSHNSWZLCHPYPU-KRWDZBQOSA-N
XLogP3.36
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95166421
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7R)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046581
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046577
(7R)-3-(3,5-difluorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972950
(7R)-3-(4-fluorophenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718414
(7R)-3-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973128
(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719484
(7S)-7-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51802228
3-(3-methoxyphenyl)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45492305
3-(3-methoxyphenyl)-7-(4-methoxy-3-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45494579
(7S)-3-(2,5-dimethoxyphenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51974297

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51721876) is (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)cc1.
What is the InChIKey of (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is OSHNSWZLCHPYPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-15-8-6-13(7-9-15)17-11-18(24)22-20-19(17)21-12-23(20)14-4-3-5-16(10-14)26-2/h3-10,12,17H,11H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 349.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51721876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).