N-Methyl-2-(2-(2-(2-((4-(piperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
Basic information
- Standard SMILES
CNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1C(F)(F)F- InChIKey
WXWQWJUPUSHHNW-UHFFFAOYSA-N- Molecular formula
- C26H29F3N6O
- Average molar mass
- 498.5 g/mol
Names & identifiers
- Preferred name
- N-Methyl-2-(2-(2-(2-((4-(piperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide
- IUPAC
- N-methyl-2-[2-[2-[2-(4-piperazin-1-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
Names & synonyms
N-Methyl-2-(2-(2-(2-((4-(piperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamideCHEMBL3692180SCHEMBL14576132BDBM155538US9012461, 14US9012461, 15N-Methyl-2-(2-(2-(2-((4-(piperazin-1-yl)phenyl)amino)-5-(trifluoromethyl) pyrimidin-4-yl)ethyl)phenyl)acetamide
Database identifiers
- PubChem CID
- 60164697
- ChEMBL
CHEMBL3692180
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 681
Related reactions
2 records
Compound notes
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