(R)-6-(3-Amino-3-(trifluoromethyl)pyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(pyrimidin-5-yl)nicotinamide
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Basic information
- Standard SMILES
N[C@]1(C(F)(F)F)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1- InChIKey
OURLJBGHPVZCED-HXUWFJFHSA-N- Molecular formula
- C22H18ClF5N6O2
- Average molar mass
- 528.9 g/mol
Names & identifiers
- Preferred name
- (R)-6-(3-Amino-3-(trifluoromethyl)pyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(pyrimidin-5-yl)nicotinamide
- IUPAC
- 6-[(3R)-3-amino-3-(trifluoromethyl)pyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide
Names & synonyms
(R)-6-(3-Amino-3-(trifluoromethyl)pyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(pyrimidin-5-yl)nicotinamideCHEMBL4113344SCHEMBL15393073BDBM213697US9278981, 289
Database identifiers
- PubChem CID
- 89907978
- ChEMBL
CHEMBL4113344
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 766
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Related reactions
1 records
Compound notes
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