2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C23H21Cl2N3O — CID 42617979

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESO=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CCN1C1CCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-16-11-9-15(10-12-16)22-18-13-14-27(17-5-1-2-6-17)23(29)21(18)26-28(22)20-8-4-3-7-19(20)25/h3-4,7-12,17H,1-2,5-6,13-14H2
InChIKeyFQJAKVRJSIYTAP-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.79
Rot. Bonds3

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 42617979) has the molecular formula C23H21Cl2N3O and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID42617979
Molecular FormulaC23H21Cl2N3O
Molecular Weight426.35 g/mol
Exact Mass425.11
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESO=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CCN1C1CCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-16-11-9-15(10-12-16)22-18-13-14-27(17-5-1-2-6-17)23(29)21(18)26-28(22)20-8-4-3-7-19(20)25/h3-4,7-12,17H,1-2,5-6,13-14H2
InChIKeyFQJAKVRJSIYTAP-UHFFFAOYSA-N
XLogP5.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Rimonabant
CID 104850
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-Pyrazole-3-carboxamide
CID 66844170
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-pentyl-1H-pyrazole-3-carboxamide
CID 9868408
Rimonabant Hydrochloride
CID 104849
3-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-methyl-6-(2,2,2-trifluoroethyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 11374417
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 15603837
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 11408036
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 21868807
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 11202164
3-(4-Chlorophenyl)-2-(2-chlorophenyl)-6-(2,2,2-trifluoroethyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 11247638
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-c]pyridin-7(6H)-one
CID 11407971
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 11464704

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 42617979) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is O=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CCN1C1CCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is FQJAKVRJSIYTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O/c24-16-11-9-15(10-12-16)22-18-13-14-27(17-5-1-2-6-17)23(29)21(18)26-28(22)20-8-4-3-7-19(20)25/h3-4,7-12,17H,1-2,5-6,13-14H2.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 426.35 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-cyclopentyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 42617979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).