Basic information
- Standard SMILES
COc1nccc(-c2cc3cn[nH]c3nc2-c2cccc(C(F)(F)F)c2)n1- InChIKey
RTLZFDANVKCISR-UHFFFAOYSA-N- Molecular formula
- C18H12F3N5O
- Average molar mass
- 371.3 g/mol
Names & identifiers
- Preferred name
- 5-(2-Methoxypyrimidin-4-yl)-6-(3-trifluoromethylphenyl)-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 5-(2-methoxypyrimidin-4-yl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine
Names & synonyms
5-(2-Methoxypyrimidin-4-yl)-6-(3-trifluoromethylphenyl)-1H-pyrazolo[3,4-b]pyridineSCHEMBL2930866
Database identifiers
- PubChem CID
- 9976469
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Related reactions
3 records
Compound notes
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