Basic information
- Standard SMILES
CC(=O)Nc1cccc(COc2ccc(-c3cc4[nH]cnc4c(C#N)n3)cc2C(F)(F)F)c1- InChIKey
WHPPGWCZEKSMEQ-UHFFFAOYSA-N- Molecular formula
- C23H16F3N5O2
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 451.12560926
Names & identifiers
- Preferred name
- 6-(4-(3-acetylaminobenzoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
- IUPAC
- N-[3-[[4-(4-cyano-1H-imidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]acetamide
Names & synonyms
6-(4-(3-acetylaminobenzoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrileSCHEMBL1742266
Database identifiers
- PubChem CID
- 46842668
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 741
Related reactions
1 records
Compound notes
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