Basic information
- Standard SMILES
C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC4COC(C)(C)O4)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1- InChIKey
KQTLKCVWHUJOER-PPUHSXQSSA-N- Molecular formula
- C33H41ClN8O5Si
- Average molar mass
- 693.3 g/mol
Names & identifiers
- Preferred name
- 2-[6-chloro-1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-indazol-3-yl]-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
- 2-[6-chloro-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14752173KQTLKCVWHUJOER-PPUHSXQSSA-N2-[6-chloro-1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-indazol-3-yl]-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
Database identifiers
- PubChem CID
- 71288913
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
2 records
Compound notes
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