(7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C22H23N3O3 — CID 51719691

IUPAC(7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H23N3O3/c1-14(2)28-19-7-5-4-6-17(19)18-12-20(26)24-22-21(18)23-13-25(22)15-8-10-16(27-3)11-9-15/h4-11,13-14,18H,12H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyQWFIHMBAORMGFZ-GOSISDBHSA-N
MW377.44 g/mol
LogP4.14
Rot. Bonds5

About (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51719691) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51719691
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H23N3O3/c1-14(2)28-19-7-5-4-6-17(19)18-12-20(26)24-22-21(18)23-13-25(22)15-8-10-16(27-3)11-9-15/h4-11,13-14,18H,12H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyQWFIHMBAORMGFZ-GOSISDBHSA-N
XLogP4.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720291
(7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718140
3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45495956
(7R)-7-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721364
(7S)-7-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51802228
7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45496047
(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719484
(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721876
(7R)-3-(4-fluorophenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718414
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046577
(7R)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046581
(7S)-7-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719086

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51719691) is (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1.
What is the InChIKey of (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is QWFIHMBAORMGFZ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(2)28-19-7-5-4-6-17(19)18-12-20(26)24-22-21(18)23-13-25(22)15-8-10-16(27-3)11-9-15/h4-11,13-14,18H,12H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 377.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51719691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).