Basic information
- Standard SMILES
Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NCCCN(C)C)nc2c1-c1cccc(C(F)(F)F)c1- InChIKey
VTBYXOYJGGJBNR-UHFFFAOYSA-N- Molecular formula
- C29H27F3N8
- Average molar mass
- 544.6 g/mol
Names & identifiers
- Preferred name
- 4-{5-[2-(3-Dimethylamino-propylamino)-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrazol-1-yl}-benzonitrile
- IUPAC
- 4-[5-[2-[3-(dimethylamino)propylamino]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]benzonitrile
Names & synonyms
4-{5-[2-(3-Dimethylamino-propylamino)-7-methyl-8-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrazol-1-yl}-benzonitrileSCHEMBL15411663
Database identifiers
- PubChem CID
- 73051920
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 869
Related reactions
4 records
Compound notes
Loading…