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Basic information
- Standard SMILES
CN(C)[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C[C@@H]1O- InChIKey
CTKZIXPZWJQMFC-PMACEKPBSA-N- Molecular formula
- C23H23F3N6O3
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.1783731
Names & identifiers
- Preferred name
- 6-((3S,4S)-3-(Dimethylamino)-4-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6-((3S,4S)-3-(Dimethylamino)-4-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideCHEMBL3892160SCHEMBL15393494BDBM213633US9278981, 225
Database identifiers
- PubChem CID
- 89908366
- ChEMBL
CHEMBL3892160
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 700
Related reactions
1 records
Compound notes
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