2-(2-(2-(2-((4-(1-Methylpiperidin-2-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
Basic information
- Standard SMILES
CN1CCCCC1c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccccc3CC(N)=O)n2)cc1- InChIKey
ICYKGIGVBVERHT-UHFFFAOYSA-N- Molecular formula
- C27H30F3N5O
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- 2-(2-(2-(2-((4-(1-Methylpiperidin-2-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
- IUPAC
- 2-[2-[2-[2-[4-(1-methylpiperidin-2-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
Names & synonyms
2-(2-(2-(2-((4-(1-methylpiperidin-2-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamideCHEMBL3692176SCHEMBL14576904BDBM155533US9012461, 92-(2-(2-(2-((4-(1-methylpiperidin-2-yl)phenyl)amino)-5-(trifluoromethyl) pyrimidin-4-yl)ethyl)phenyl)acetamide
Database identifiers
- PubChem CID
- 71209243
- ChEMBL
CHEMBL3692176
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 699
Related reactions
2 records
Compound notes
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