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

C19H16ClN3O2 — CID 51719484

IUPAC(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccccc2Cl)c1
InChIInChI=1S/C19H16ClN3O2/c1-25-13-6-4-5-12(9-13)23-11-21-18-15(10-17(24)22-19(18)23)14-7-2-3-8-16(14)20/h2-9,11,15H,10H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyYDSDUBFSJKOLPL-HNNXBMFYSA-N
MW353.81 g/mol
LogP4.01
Rot. Bonds3

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

(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51719484) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51719484
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccccc2Cl)c1
InChIInChI=1S/C19H16ClN3O2/c1-25-13-6-4-5-12(9-13)23-11-21-18-15(10-17(24)22-19(18)23)14-7-2-3-8-16(14)20/h2-9,11,15H,10H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyYDSDUBFSJKOLPL-HNNXBMFYSA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one with MolForge

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Related Compounds

(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721876
(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
3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45495956
(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95166421
3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45493620
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-3-(2-chlorophenyl)-7-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717709
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
7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45496047
(7R)-3-(4-fluorophenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718414

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51719484) is (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccccc2Cl)c1.
What is the InChIKey of (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is YDSDUBFSJKOLPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-13-6-4-5-12(9-13)23-11-21-18-15(10-17(24)22-19(18)23)14-7-2-3-8-16(14)20/h2-9,11,15H,10H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 353.81 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51719484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).