Basic information
- Standard SMILES
Cn1cc(-c2cnc(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H]3CCN(C(=O)OC(C)(C)C)C3)nc2)cn1- InChIKey
QVOPFQBINATHEM-NRFANRHFSA-N- Molecular formula
- C26H28F6N6O2
- Average molar mass
- 570.5 g/mol
Names & identifiers
- Preferred name
- (S)-3-{(3,5-bis-trifluoromethyl-benzyl)-[5-(1-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]amino}-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
Names & synonyms
(S)-3-{(3,5-bis-trifluoromethyl-benzyl)-[5-(1-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]amino}-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL1723836
Database identifiers
- PubChem CID
- 59614371
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 838
Related reactions
1 records
Compound notes
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