Basic information
- Standard SMILES
COC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)OC(C)(C)C- InChIKey
XXVXUGHYVZCKHX-GOTSBHOMSA-N- Molecular formula
- C28H32F6N6O3
- Average molar mass
- 614.6 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-4-{(3,5-bis-trifluoromethyl-benzyl)-[5-(1-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amino}-2-methoxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2S,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate
Names & synonyms
(2S,4S)-4-{(3,5-bis-trifluoromethyl-benzyl)-[5-(1-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amino}-2-methoxymethyl-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL1724784
Database identifiers
- PubChem CID
- 59614327
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 904
Related reactions
1 records
Compound notes
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