2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one

C20H12Cl2F3N3O — CID 11407971

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one
SMILESO=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ccn1CC(F)(F)F
InChIInChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2
InChIKeyOZKNIYDKUNRBKX-UHFFFAOYSA-N
MW438.24 g/mol
LogP5.72
Rot. Bonds3

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one (PubChem CID 11407971) has the molecular formula C20H12Cl2F3N3O and a molecular weight of 438.24 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one
PubChem CID11407971
Molecular FormulaC20H12Cl2F3N3O
Molecular Weight438.24 g/mol
Exact Mass437.03
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one
SMILESO=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ccn1CC(F)(F)F
InChIInChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2
InChIKeyOZKNIYDKUNRBKX-UHFFFAOYSA-N
XLogP5.72
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.24
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one (CID 11407971) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one is O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ccn1CC(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one?
The InChIKey is OZKNIYDKUNRBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one has a molecular weight of 438.24 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 11407971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).