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

C15H12ClF4N3O — CID 166162226

IUPAC3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESO=C1c2nn(Cc3c(F)cccc3F)c(Cl)c2CCN1CC(F)F
InChIInChI=1S/C15H12ClF4N3O/c16-14-8-4-5-22(7-12(19)20)15(24)13(8)21-23(14)6-9-10(17)2-1-3-11(9)18/h1-3,12H,4-7H2
InChIKeyOZPGYHUCQYJECQ-UHFFFAOYSA-N
MW361.73 g/mol
LogP3.13
Rot. Bonds4

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

3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 166162226) has the molecular formula C15H12ClF4N3O and a molecular weight of 361.73 g/mol. Its IUPAC name is 3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID166162226
Molecular FormulaC15H12ClF4N3O
Molecular Weight361.73 g/mol
Exact Mass361.06
IUPAC Name3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESO=C1c2nn(Cc3c(F)cccc3F)c(Cl)c2CCN1CC(F)F
InChIInChI=1S/C15H12ClF4N3O/c16-14-8-4-5-22(7-12(19)20)15(24)13(8)21-23(14)6-9-10(17)2-1-3-11(9)18/h1-3,12H,4-7H2
InChIKeyOZPGYHUCQYJECQ-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.73
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 166162226) is 3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is O=C1c2nn(Cc3c(F)cccc3F)c(Cl)c2CCN1CC(F)F.
What is the InChIKey of 3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is OZPGYHUCQYJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N3O/c16-14-8-4-5-22(7-12(19)20)15(24)13(8)21-23(14)6-9-10(17)2-1-3-11(9)18/h1-3,12H,4-7H2.
What are the key properties of 3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
3-chloro-6-(2,2-difluoroethyl)-2-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 361.73 g/mol, XLogP of 3.13, 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-[(2,6-difluorophenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 166162226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).