Basic information
- Standard SMILES
Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H]3C[C@H]3C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1- InChIKey
IGHIQKCJTJNIFY-JZXOWHBKSA-N- Molecular formula
- C24H23F3N6O
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- N-[((1S,4S,6S)-3-{[6-Methyl-3-(2-pyrimidinyl)-2-pyridinyl]carbonyl}-3-azabicyclo[4.1.0]hept-4-yl)methyl]-5-(trifluoromethyl)-2-pyridinamine
- IUPAC
- (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,4S,6S)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
Names & synonyms
N-[((1S,4S,6S)-3-{[6-Methyl-3-(2-pyrimidinyl)-2-pyridinyl]carbonyl}-3-azabicyclo[4.1.0]hept-4-yl)methyl]-5-(trifluoromethyl)-2-pyridinamineSCHEMBL262353
Database identifiers
- PubChem CID
- 46222789
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 717
Related reactions
1 records
Compound notes
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