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

C21H20ClN3O4 — CID 51717998

IUPAC(7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C21H20ClN3O4/c1-27-16-7-12(8-17(28-2)20(16)29-3)15-10-18(26)24-21-19(15)23-11-25(21)14-6-4-5-13(22)9-14/h4-9,11,15H,10H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyFUTASTXUDZWROS-HNNXBMFYSA-N
MW413.86 g/mol
LogP4.03
Rot. Bonds5

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

(7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51717998) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51717998
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name(7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C21H20ClN3O4/c1-27-16-7-12(8-17(28-2)20(16)29-3)15-10-18(26)24-21-19(15)23-11-25(21)14-6-4-5-13(22)9-14/h4-9,11,15H,10H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyFUTASTXUDZWROS-HNNXBMFYSA-N
XLogP4.03
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717534
3-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51043538
(7R)-3-(3-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 95166421
3-(3-chlorophenyl)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45493702
3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45493620
(7R)-3-(3,5-difluorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972417
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703
(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721876
7-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42647913
(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

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51717998) is (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is FUTASTXUDZWROS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-27-16-7-12(8-17(28-2)20(16)29-3)15-10-18(26)24-21-19(15)23-11-25(21)14-6-4-5-13(22)9-14/h4-9,11,15H,10H2,1-3H3,(H,24,26)/t15-/m0/s1.
What are the key properties of (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 413.86 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(3-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51717998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).