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

C24H23Cl2N3O — CID 69157834

IUPAC2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2c(nn(-c3cccc(Cl)c3)c2-c2ccc(Cl)cc2)CCN1C1CCCCC1
InChIInChI=1S/C24H23Cl2N3O/c25-17-11-9-16(10-12-17)23-22-21(27-29(23)20-8-4-5-18(26)15-20)13-14-28(24(22)30)19-6-2-1-3-7-19/h4-5,8-12,15,19H,1-3,6-7,13-14H2
InChIKeyLGIRYRGMAGWUDR-UHFFFAOYSA-N
MW440.37 g/mol
LogP6.18
Rot. Bonds3

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

2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 69157834) has the molecular formula C24H23Cl2N3O and a molecular weight of 440.37 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID69157834
Molecular FormulaC24H23Cl2N3O
Molecular Weight440.37 g/mol
Exact Mass439.12
IUPAC Name2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2c(nn(-c3cccc(Cl)c3)c2-c2ccc(Cl)cc2)CCN1C1CCCCC1
InChIInChI=1S/C24H23Cl2N3O/c25-17-11-9-16(10-12-17)23-22-21(27-29(23)20-8-4-5-18(26)15-20)13-14-28(24(22)30)19-6-2-1-3-7-19/h4-5,8-12,15,19H,1-3,6-7,13-14H2
InChIKeyLGIRYRGMAGWUDR-UHFFFAOYSA-N
XLogP6.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.37
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 11384765
2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 11453058
3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one
CID 11637879
3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
CID 712785
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane
CID 22337597
1-(2-chlorophenyl)-2-(4-chlorophenyl)-5-[(2S)-2-hydroxycyclohexyl]-3-methyl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
CID 10276853
1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one
CID 91936514
3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole
CID 17025660
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one
CID 11453059
1-(3-chlorophenyl)-4-[1-cyclohexyl-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxopyrrol-3-yl]-3-ethylpyrazol-5-olate
CID 3880250
3-(4-chlorophenyl)-2-cyclobutyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6-carboxylic acid
CID 69039701

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 69157834) is 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is O=C1c2c(nn(-c3cccc(Cl)c3)c2-c2ccc(Cl)cc2)CCN1C1CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is LGIRYRGMAGWUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O/c25-17-11-9-16(10-12-17)23-22-21(27-29(23)20-8-4-5-18(26)15-20)13-14-28(24(22)30)19-6-2-1-3-7-19/h4-5,8-12,15,19H,1-3,6-7,13-14H2.
What are the key properties of 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 440.37 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 69157834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).