Basic information
- Standard SMILES
Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)COC4)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1- InChIKey
QZEXFMKREFCTEC-HLIPFELVSA-N- Molecular formula
- C25H25F4N5O4
- Average molar mass
- 535.5 g/mol
Names & identifiers
- Preferred name
- N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl)-5-fluoropicolinamide
- IUPAC
- N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoropyridine-2-carboxamide
Names & synonyms
CHEMBL4106673SCHEMBL15608719QZEXFMKREFCTEC-HLIPFELVSA-NBDBM227242US9328106, 193N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl)-5-fluoropicolinamide
Database identifiers
- PubChem CID
- 73437697
- ChEMBL
CHEMBL4106673
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 832
Related reactions
1 records
Compound notes
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