Basic information
- Standard SMILES
CN(C)CCOC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1O- InChIKey
OGHWDRDIHJBTOT-WIYYLYMNSA-N- Molecular formula
- C26H30ClN11O3
- Average molar mass
- 580 g/mol
Names & identifiers
- Preferred name
- (+/-)-2-(dimethylamino)ethyl ((3R,4R)-1-(2-chloro-5-cyano-3-((7-cyano-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazin-2-yl)amino)phenyl)-3-hydroxypiperidin-4-yl)carbamate
- IUPAC
- 2-(dimethylamino)ethyl N-[(3R,4R)-1-[2-chloro-5-cyano-3-[[7-cyano-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-3-hydroxypiperidin-4-yl]carbamate
Names & synonyms
SCHEMBL15414201OGHWDRDIHJBTOT-WIYYLYMNSA-N(+/-)-2-(dimethylamino)ethyl ((3R,4R)-1-(2-chloro-5-cyano-3-((7-cyano-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazin-2-yl)amino)phenyl)-3-hydroxypiperidin-4-yl)carbamate
Database identifiers
- PubChem CID
- 89922892
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
4 records
Compound notes
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