Basic information
- Standard SMILES
Cc1cccn2cc(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12- InChIKey
OFXLDXQJVJZUIS-RUZDIDTESA-N- Molecular formula
- C29H30N4O3
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.23179083
Names & identifiers
- Preferred name
- 3-Cyano-N-((1S)-3-hydroxy-1-{[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl}propyl)-4-[(1-methylethyl)oxy]benzamide
- IUPAC
- 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
Names & synonyms
CHEMBL5712053SCHEMBL2105059OFXLDXQJVJZUIS-RUZDIDTESA-N3-Cyano-N-((1S)-3-hydroxy-1-{[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl}propyl)-4-[(1-methylethyl)oxy]benzamide
Database identifiers
- PubChem CID
- 11619983
- ChEMBL
CHEMBL5712053
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 759
Related reactions
7 records
Linked notes
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