Basic information
- Standard SMILES
CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)N(C)C- InChIKey
FAHMNJNQQWSUFF-YADHBBJMSA-N- Molecular formula
- C26H29F6N7O
- Average molar mass
- 569.5 g/mol
Names & identifiers
- Preferred name
- (2R,4S)-4-{(3,5-Bis-trifluoromethyl-benzyl)-[5-(1-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amino}-2-ethyl-pyrrolidine-1-carboxylic acid dimethylamide
- IUPAC
- (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethyl-N,N-dimethylpyrrolidine-1-carboxamide
Names & synonyms
(2R,4S)-4-{(3,5-Bis-trifluoromethyl-benzyl)-[5-(1-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amino}-2-ethyl-pyrrolidine-1-carboxylic acid dimethylamideSCHEMBL1725206CHEMBL3685776BDBM124877US8759365, 18
Database identifiers
- PubChem CID
- 42632980
- ChEMBL
CHEMBL3685776
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 828
Related reactions
1 records
Compound notes
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