Basic information
- Standard SMILES
Cc1ccc(-c2ccccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncc(C(F)(F)F)cn2)c1- InChIKey
SADIGGDWYUDOPY-VGOFRKELSA-N- Molecular formula
- C25H26F3N5O
- Average molar mass
- 469.5 g/mol
Names & identifiers
- Preferred name
- ((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(pyridin-2-yl)phenyl)methanone
- IUPAC
- (5-methyl-2-pyridin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
Names & synonyms
((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin-1-yl)(5-methyl-2-(pyridin-2-yl)phenyl)methanoneCHEMBL5877688SCHEMBL16278944((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyrimidin-2-yl)amino)methyl)piperidin-1-yl) (5-methyl-2-(pyridin-2-yl)phenyl)methanone
Database identifiers
- PubChem CID
- 117728853
- ChEMBL
CHEMBL5877688
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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