Basic information
- Standard SMILES
CC(=O)N1CC(Oc2nc3ccc(C#CC(C)(O)c4cc(C)on4)cc3n2-c2ccnc(N)n2)C1- InChIKey
IEPGQFJWIDYRES-UHFFFAOYSA-N- Molecular formula
- C24H23N7O4
- Average molar mass
- 473.5 g/mol
Names & identifiers
- Preferred name
- 1-(3-[[1-(2-aminopyrimidin-4-yl)-6-[3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-1H-1,3-benzodiazol-2-yl]oxy]azetidin-1-yl)ethan-1-one
- IUPAC
- 1-[3-[1-(2-aminopyrimidin-4-yl)-6-[3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-ynyl]benzimidazol-2-yl]oxyazetidin-1-yl]ethanone
Names & synonyms
SCHEMBL11970838IEPGQFJWIDYRES-UHFFFAOYSA-N1-(3-[[1-(2-aminopyrimidin-4-yl)-6-[3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-1H-1,3-benzodiazol-2-yl]oxy]azetidin-1-yl)ethan-1-one
Database identifiers
- PubChem CID
- 68181790
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 857
Related reactions
1 records
Compound notes
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