Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2ccnn2C2CCCCO2)c1- InChIKey
NBFDKCQNLUBFFD-UHFFFAOYSA-N- Molecular formula
- C21H18ClF3N4O3
- Average molar mass
- 466.8 g/mol
Names & identifiers
- Preferred name
- 6-chloro-5-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-chloro-5-[2-(oxan-2-yl)pyrazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6-chloro-5-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15393186
Database identifiers
- PubChem CID
- 89908089
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
Related reactions
6 records
Compound notes
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