Basic information
- Standard SMILES
C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2F)n1)NC(=O)c1cc(CN2CCOCC2)on1- InChIKey
XFKPNLVXTQWYSC-AWEZNQCLSA-N- Molecular formula
- C22H22ClFN6O3
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 472.1425944
Names & identifiers
- Preferred name
- (S)-N-(1-(3-(3-chloro-4-cyano-2-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(morpholinomethyl)isoxazole-3-carboxamide
- IUPAC
- N-[(2S)-1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
Names & synonyms
SCHEMBL12080144XFKPNLVXTQWYSC-AWEZNQCLSA-N(S)-N-(1-(3-(3-chloro-4-cyano-2-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(morpholinomethyl)isoxazole-3-carboxamide
Database identifiers
- PubChem CID
- 52919829
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 719
Related reactions
1 records
Compound notes
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