6'-chloro-5'-fluoro-2-(3-hydroxy-3-methylazetidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
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Basic information
- Standard SMILES
CC1(O)CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cnc(Cl)c(F)c2)C1- InChIKey
XUBYSODSHSMZEC-UHFFFAOYSA-N- Molecular formula
- C22H17ClF4N4O3
- Average molar mass
- 496.8 g/mol
- Monoisotopic mass
- 496.0925308
Names & identifiers
- Preferred name
- 6'-chloro-5'-fluoro-2-(3-hydroxy-3-methylazetidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
- IUPAC
- 5-(6-chloro-5-fluoro-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6'-chloro-5'-fluoro-2-(3-hydroxy-3-methylazetidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamideCHEMBL3944291SCHEMBL15391756BDBM213542US9278981, 134
Database identifiers
- PubChem CID
- 89906951
- ChEMBL
CHEMBL3944291
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 719
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Related reactions
2 records
Compound notes
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