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

C21H17Cl2F2N3O — CID 15603837

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC(F)(F)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H17Cl2F2N3O/c1-21(24,25)12-27-11-10-15-18(20(27)29)26-28(17-5-3-2-4-16(17)23)19(15)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
InChIKeyZMHYLSJQTABXPG-UHFFFAOYSA-N
MW436.29 g/mol
LogP5.50
Rot. Bonds4

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

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 15603837) has the molecular formula C21H17Cl2F2N3O and a molecular weight of 436.29 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID15603837
Molecular FormulaC21H17Cl2F2N3O
Molecular Weight436.29 g/mol
Exact Mass435.07
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC(F)(F)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H17Cl2F2N3O/c1-21(24,25)12-27-11-10-15-18(20(27)29)26-28(17-5-3-2-4-16(17)23)19(15)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
InChIKeyZMHYLSJQTABXPG-UHFFFAOYSA-N
XLogP5.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.29
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-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 15603837) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CC(F)(F)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is ZMHYLSJQTABXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F2N3O/c1-21(24,25)12-27-11-10-15-18(20(27)29)26-28(17-5-3-2-4-16(17)23)19(15)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 436.29 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-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 15603837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).