Basic information
- Standard SMILES
CCOC(=O)Cc1cncnc1C#Cc1nc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C(F)(F)F- InChIKey
FQIRUABPCRJNRG-UHFFFAOYSA-N- Molecular formula
- C31H33F3N6O4
- Average molar mass
- 610.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-((4-((5-(2-ethoxy-2-oxoethyl)pyrimidin-4-yl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[4-[2-[5-(2-ethoxy-2-oxoethyl)pyrimidin-4-yl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate
Names & synonyms
tert-Butyl 4-(4-((4-((5-(2-ethoxy-2-oxoethyl)pyrimidin-4-yl)ethynyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylateSCHEMBL14643141tert-Butyl 4-(4-((4-((5-(2-ethoxy-2-oxoethyl)pyrimidin-4-yl) ethynyl)-5-(trifluoromethyl) pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71229366
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
4 records
Compound notes
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