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

C20H19N3O4 — CID 39348703

IUPAC(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc(OC)c1O
InChIInChI=1S/C20H19N3O4/c1-26-15-8-12(9-16(27-2)19(15)25)14-10-17(24)22-20-18(14)21-11-23(20)13-6-4-3-5-7-13/h3-9,11,14,25H,10H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeySIJIPCYTFHCRFO-AWEZNQCLSA-N
MW365.39 g/mol
LogP3.07
Rot. Bonds4

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

(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 39348703) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID39348703
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc(OC)c1O
InChIInChI=1S/C20H19N3O4/c1-26-15-8-12(9-16(27-2)19(15)25)14-10-17(24)22-20-18(14)21-11-23(20)13-6-4-3-5-7-13/h3-9,11,14,25H,10H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeySIJIPCYTFHCRFO-AWEZNQCLSA-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

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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
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046577
(7R)-3,7-diphenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046442
(7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717998
3-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51043538
(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95119122
(7R)-7-(3-hydroxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047146
(7R)-3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717534
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-7-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51802228
7-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42647913
3-(3-chlorophenyl)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45493702

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 39348703) is (7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc(OC)c1O.
What is the InChIKey of (7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is SIJIPCYTFHCRFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-15-8-12(9-16(27-2)19(15)25)14-10-17(24)22-20-18(14)21-11-23(20)13-6-4-3-5-7-13/h3-9,11,14,25H,10H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-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)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 39348703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).