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

C22H21Cl2N3O — CID 42617977

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H21Cl2N3O/c1-14(2)13-26-12-11-17-20(22(26)28)25-27(19-6-4-3-5-18(19)24)21(17)15-7-9-16(23)10-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyWRYHYMZLAAULED-UHFFFAOYSA-N
MW414.34 g/mol
LogP5.50
Rot. Bonds4

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

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 42617977) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID42617977
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H21Cl2N3O/c1-14(2)13-26-12-11-17-20(22(26)28)25-27(19-6-4-3-5-18(19)24)21(17)15-7-9-16(23)10-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyWRYHYMZLAAULED-UHFFFAOYSA-N
XLogP5.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 42617977) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CC(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is WRYHYMZLAAULED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c1-14(2)13-26-12-11-17-20(22(26)28)25-27(19-6-4-3-5-18(19)24)21(17)15-7-9-16(23)10-8-15/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 414.34 g/mol, XLogP of 5.50, 4 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-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 42617977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).