Basic information
- Standard SMILES
Cn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(=O)[nH]c21- InChIKey
WGHICSWLADUVRB-UHFFFAOYSA-N- Molecular formula
- C14H10F3N3O
- Average molar mass
- 293.24 g/mol
Names & identifiers
- Preferred name
- 1-methyl-3-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
- IUPAC
- 1-methyl-3-phenyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
Names & synonyms
1-methyl-3-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6(7H)-oneSCHEMBL1915780MGTLPIKWWLWZFR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136376522
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Related reactions
2 records
Compound notes
Loading…