(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C26H22ClN3O3 — CID 136909827

IUPAC(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1OC
InChIInChI=1S/C26H22ClN3O3/c1-32-21-13-10-17(14-22(21)33-2)20-15-23(31)28-26-24(20)25(16-8-11-18(27)12-9-16)29-30(26)19-6-4-3-5-7-19/h3-14,20H,15H2,1-2H3,(H,28,31)/t20-/m0/s1
InChIKeyRAHIEIGKSBZSQD-FQEVSTJZSA-N
MW459.93 g/mol
LogP5.68
Rot. Bonds5

About (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136909827) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136909827
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Name(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1OC
InChIInChI=1S/C26H22ClN3O3/c1-32-21-13-10-17(14-22(21)33-2)20-15-23(31)28-26-24(20)25(16-8-11-18(27)12-9-16)29-30(26)19-6-4-3-5-7-19/h3-14,20H,15H2,1-2H3,(H,28,31)/t20-/m0/s1
InChIKeyRAHIEIGKSBZSQD-FQEVSTJZSA-N
XLogP5.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.93
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135873552
(4S)-3-(4-chlorophenyl)-1-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678955
3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620727
(4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909823
4-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621021
(4S)-3-(4-chlorophenyl)-4-(3-fluorophenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678953
(4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 1480140
3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620734
(4S)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909863
3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621015
4-(4-fluorophenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620866
3,4-bis(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620987

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136909827) is (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1OC.
What is the InChIKey of (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RAHIEIGKSBZSQD-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c1-32-21-13-10-17(14-22(21)33-2)20-15-23(31)28-26-24(20)25(16-8-11-18(27)12-9-16)29-30(26)19-6-4-3-5-7-19/h3-14,20H,15H2,1-2H3,(H,28,31)/t20-/m0/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 459.93 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136909827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).