Basic information
- Standard SMILES
Cc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@@H]2Nc2ccc(C(F)(F)F)nc2)c1- InChIKey
WBRJHAHYEXTPTE-IRXDYDNUSA-N- Molecular formula
- C21H21F3N6O
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.1728938
Names & identifiers
- Preferred name
- 5-Methyl-2-(2H-1,2,3-triazol-2-yl)-N-[(1S,2S)-2-{[6-(trifluoromethyl)pyridin-3-yl]amino}cyclopentyl]benzamide
- IUPAC
- 5-methyl-2-(triazol-2-yl)-N-[(1S,2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide
Names & synonyms
5-Methyl-2-(2H-1,2,3-triazol-2-yl)-N-[(1S,2S)-2-{[6-(trifluoromethyl)pyridin-3-yl]amino}cyclopentyl]benzamideCHEMBL3942444SCHEMBL17007367BDBM185251US9156829, 67
Database identifiers
- PubChem CID
- 118308317
- ChEMBL
CHEMBL3942444
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 614
Related reactions
1 records
Compound notes
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