(4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C26H22ClN3O3 — CID 136909823

IUPAC(4R)-3-(4-chlorophenyl)-4-(2,4-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)c(OC)c1
InChIInChI=1S/C26H22ClN3O3/c1-32-19-12-13-20(22(14-19)33-2)21-15-23(31)28-26-24(21)25(16-8-10-17(27)11-9-16)29-30(26)18-6-4-3-5-7-18/h3-14,21H,15H2,1-2H3,(H,28,31)/t21-/m0/s1
InChIKeyPWLSHKASCPNADM-NRFANRHFSA-N
MW459.93 g/mol
LogP5.68
Rot. Bonds5

About (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136909823) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136909823
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Name(4R)-3-(4-chlorophenyl)-4-(2,4-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)c(OC)c1
InChIInChI=1S/C26H22ClN3O3/c1-32-19-12-13-20(22(14-19)33-2)21-15-23(31)28-26-24(21)25(16-8-10-17(27)11-9-16)29-30(26)18-6-4-3-5-7-18/h3-14,21H,15H2,1-2H3,(H,28,31)/t21-/m0/s1
InChIKeyPWLSHKASCPNADM-NRFANRHFSA-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

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Related Compounds

(4R)-4-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135924831
(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909827
(4S)-3-(4-chlorophenyl)-1-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678955
4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135653356
3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620734
3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620905
(4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 1480140
3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620727
(4S)-3-(4-chlorophenyl)-4-(3-fluorophenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678953
(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135873552
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136909823) is (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-(4-chlorophenyl)-4-(2,4-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)c(OC)c1.
What is the InChIKey of (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PWLSHKASCPNADM-NRFANRHFSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c1-32-19-12-13-20(22(14-19)33-2)21-15-23(31)28-26-24(21)25(16-8-10-17(27)11-9-16)29-30(26)18-6-4-3-5-7-18/h3-14,21H,15H2,1-2H3,(H,28,31)/t21-/m0/s1.
What are the key properties of (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-3-(4-chlorophenyl)-4-(2,4-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 (4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136909823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).