Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2C[C@@H](O)[C@H](F)C2)c(-c2ccn[nH]2)c1- InChIKey
XKHIIXWZDDXPKP-NVXWUHKLSA-N- Molecular formula
- C20H17F4N5O3
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 451.12675207
Names & identifiers
- Preferred name
- 6-(trans-3-Fluoro-4-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6-(trans-3-Fluoro-4-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15392892
Database identifiers
- PubChem CID
- 89907819
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 649
Related reactions
1 records
Compound notes
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