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)N1CCOCC1- InChIKey
YBRQYUAXMZLFMR-RPWUZVMVSA-N- Molecular formula
- C28H31F6N7O2
- Average molar mass
- 611.6 g/mol
- Monoisotopic mass
- 611.24434223
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-pyrrolidin-1-yl)-morpholin-4-yl-methanone
- IUPAC
- [(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-ethylpyrrolidin-1-yl]-morpholin-4-ylmethanone
Names & synonyms
((2R,4S)-4-{(3,5-Bis-trifluoromethyl-benzyl)-[5-(1-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amino}-2-ethyl-pyrrolidin-1-yl)-morpholin-4-yl-methanoneSCHEMBL1723782CHEMBL3685775BDBM124876US8759365, 17
Database identifiers
- PubChem CID
- 42632979
- ChEMBL
CHEMBL3685775
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 906
Related reactions
1 records
Compound notes
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