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

C25H20ClN3O — CID 135620727

IUPAC3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(C2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C25H20ClN3O/c1-16-7-9-17(10-8-16)21-15-22(30)27-25-23(21)24(18-11-13-19(26)14-12-18)28-29(25)20-5-3-2-4-6-20/h2-14,21H,15H2,1H3,(H,27,30)
InChIKeyJXARCJIKFFFVQP-UHFFFAOYSA-N
MW413.91 g/mol
LogP5.98
Rot. Bonds3

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

3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135620727) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135620727
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(C2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C25H20ClN3O/c1-16-7-9-17(10-8-16)21-15-22(30)27-25-23(21)24(18-11-13-19(26)14-12-18)28-29(25)20-5-3-2-4-6-20/h2-14,21H,15H2,1H3,(H,27,30)
InChIKeyJXARCJIKFFFVQP-UHFFFAOYSA-N
XLogP5.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909827
(4S)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909863
(4S)-3-(4-chlorophenyl)-4-(3-fluorophenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678953
(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-(4-fluorophenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620866
3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620734
3,4-bis(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620987
(4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 1480140
3-(4-chlorophenyl)-4-naphthalen-1-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620905
(4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909823
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
(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135873552

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135620727) is 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(C2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is JXARCJIKFFFVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-16-7-9-17(10-8-16)21-15-22(30)27-25-23(21)24(18-11-13-19(26)14-12-18)28-29(25)20-5-3-2-4-6-20/h2-14,21H,15H2,1H3,(H,27,30).
What are the key properties of 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 413.91 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135620727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).