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

C19H17N3O2 — CID 39046577

IUPAC(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1
InChIInChI=1S/C19H17N3O2/c1-24-15-9-5-6-13(10-15)16-11-17(23)21-19-18(16)20-12-22(19)14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyJKSCHXIWZLKVQA-INIZCTEOSA-N
MW319.36 g/mol
LogP3.36
Rot. Bonds3

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

(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 39046577) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID39046577
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1
InChIInChI=1S/C19H17N3O2/c1-24-15-9-5-6-13(10-15)16-11-17(23)21-19-18(16)20-12-22(19)14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyJKSCHXIWZLKVQA-INIZCTEOSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046581
(7R)-3-(4-fluorophenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718414
(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-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-3-(2,5-dimethoxyphenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51974297
(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-(3-fluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047660
(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719484
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703
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

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 39046577) is (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1.
What is the InChIKey of (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is JKSCHXIWZLKVQA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-15-9-5-6-13(10-15)16-11-17(23)21-19-18(16)20-12-22(19)14-7-3-2-4-8-14/h2-10,12,16H,11H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 319.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 39046577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).