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Basic information
- Standard SMILES
C[C@@]1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1- InChIKey
WYEBITZXMREEND-OAQYLSRUSA-N- Molecular formula
- C22H20F3N5O3
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 459.151824
Names & identifiers
- Preferred name
- (R)-6-(3-Hydroxy-3-methylpyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
(R)-6-(3-Hydroxy-3-methylpyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideCHEMBL4107083SCHEMBL15393466BDBM213474US9278981, 66
Database identifiers
- PubChem CID
- 89908342
- ChEMBL
CHEMBL4107083
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 670
Related reactions
1 records
Compound notes
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