Basic information
- Standard SMILES
C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC(=O)OC(C)(C)C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1- InChIKey
YAAMLBBOFRXQKD-HXUWFJFHSA-N- Molecular formula
- C33H41ClN8O5Si
- Average molar mass
- 693.3 g/mol
- Monoisotopic mass
- 692.2657707
Names & identifiers
- Preferred name
- {6-Chloro-3-[7-[(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethylcarbamoyl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-indazol-1-yl}-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[6-chloro-3-[7-[[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]carbamoyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]indazol-1-yl]acetate
Names & synonyms
SCHEMBL14737069YAAMLBBOFRXQKD-HXUWFJFHSA-N{6-Chloro-3-[7-[(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethylcarbamoyl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-indazol-1-yl}-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 71279425
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
2 records
Compound notes
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