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

C19H16ClN3O2 — CID 95166421

IUPAC(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H16ClN3O2/c1-25-15-7-5-12(6-8-15)16-10-17(24)22-19-18(16)21-11-23(19)14-4-2-3-13(20)9-14/h2-9,11,16H,10H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyRYOGLGFPDPCDAG-MRXNPFEDSA-N
MW353.81 g/mol
LogP4.01
Rot. Bonds3

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

(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 95166421) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID95166421
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H16ClN3O2/c1-25-15-7-5-12(6-8-15)16-10-17(24)22-19-18(16)21-11-23(19)14-4-2-3-13(20)9-14/h2-9,11,16H,10H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyRYOGLGFPDPCDAG-MRXNPFEDSA-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

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 95166421) is (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1.
What is the InChIKey of (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is RYOGLGFPDPCDAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-15-7-5-12(6-8-15)16-10-17(24)22-19-18(16)21-11-23(19)14-4-2-3-13(20)9-14/h2-9,11,16H,10H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-3-(3-chlorophenyl)-7-(4-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 (7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 95166421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).