3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C15H13ClF3N3O — CID 166162175

IUPAC3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESO=C1c2nn(Cc3ccccc3F)c(Cl)c2CCN1CC(F)F
InChIInChI=1S/C15H13ClF3N3O/c16-14-10-5-6-21(8-12(18)19)15(23)13(10)20-22(14)7-9-3-1-2-4-11(9)17/h1-4,12H,5-8H2
InChIKeyMZVOYIGHASGFJY-UHFFFAOYSA-N
MW343.74 g/mol
LogP2.99
Rot. Bonds4

About 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 166162175) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID166162175
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC Name3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESO=C1c2nn(Cc3ccccc3F)c(Cl)c2CCN1CC(F)F
InChIInChI=1S/C15H13ClF3N3O/c16-14-10-5-6-21(8-12(18)19)15(23)13(10)20-22(14)7-9-3-1-2-4-11(9)17/h1-4,12H,5-8H2
InChIKeyMZVOYIGHASGFJY-UHFFFAOYSA-N
XLogP2.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 166162175) is 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is O=C1c2nn(Cc3ccccc3F)c(Cl)c2CCN1CC(F)F.
What is the InChIKey of 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is MZVOYIGHASGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c16-14-10-5-6-21(8-12(18)19)15(23)13(10)20-22(14)7-9-3-1-2-4-11(9)17/h1-4,12H,5-8H2.
What are the key properties of 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 343.74 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,2-difluoroethyl)-2-[(2-fluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 166162175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).