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

C21H19Cl2N3O — CID 21868807

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)N1CCC2=C(N(N=C2C1=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl
InChIInChI=1S/C21H19Cl2N3O/c1-13(2)25-12-11-16-19(21(25)27)24-26(18-6-4-3-5-17(18)23)20(16)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyUBGVLKZTVPOVTN-UHFFFAOYSA-N
MW400.30 g/mol
LogP5.40
Rot. Bonds3

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

2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 21868807) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.30 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID21868807
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.30 g/mol
Exact Mass399.09
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)N1CCC2=C(N(N=C2C1=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl
InChIInChI=1S/C21H19Cl2N3O/c1-13(2)25-12-11-16-19(21(25)27)24-26(18-6-4-3-5-17(18)23)20(16)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyUBGVLKZTVPOVTN-UHFFFAOYSA-N
XLogP5.40
TPSA38.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity538

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.30
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Rimonabant
CID 104850
N-(piperidin-1-yl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 2125
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
1-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanone
CID 24881103
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 25027058
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
1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-pentyl-phenyl)-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 10141695
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 11202164

Frequently Asked Questions

What is the IUPAC name of 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 21868807) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CC(C)N1CCC2=C(N(N=C2C1=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl.
What is the InChIKey of 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is UBGVLKZTVPOVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c1-13(2)25-12-11-16-19(21(25)27)24-26(18-6-4-3-5-17(18)23)20(16)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 400.30 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 21868807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).