Basic information
- Standard SMILES
C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(I)nc12)C(=O)N1CC(C#N)C1- InChIKey
YBUJTAFRBIBKKC-CYBMUJFWSA-N- Molecular formula
- C20H27IN6O3Si
- Average molar mass
- 554.5 g/mol
Names & identifiers
- Preferred name
- 2-iodo-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
- IUPAC
- N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14752120YBUJTAFRBIBKKC-CYBMUJFWSA-N2-iodo-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide2-iodo-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
Database identifiers
- PubChem CID
- 86677928
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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