Basic information
- Standard SMILES
CO[C@@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccn[nH]2)C[C@H]1N- InChIKey
ODKWGCIWORSBQH-SJLPKXTDSA-N- Molecular formula
- C21H21F3N6O3
- Average molar mass
- 462.4 g/mol
- Monoisotopic mass
- 462.16272304
Names & identifiers
- Preferred name
- 6-(trans-3-Amino-4-methoxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6-(trans-3-Amino-4-methoxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15393470
Database identifiers
- PubChem CID
- 89908346
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 664
Related reactions
1 records
Compound notes
Loading…