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Basic information
- Standard SMILES
COc1c(C)cnc(Cn2cc(C#C[Si](C)(C)C)c3c(Cl)nc(NC(=O)C(C)(C)C)nc32)c1C- InChIKey
QQMOXESXOSMQDA-UHFFFAOYSA-N- Molecular formula
- C25H32ClN5O2Si
- Average molar mass
- 498.1 g/mol
- Monoisotopic mass
- 497.2013795
Names & identifiers
- Preferred name
- N-[4-Chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-5-trimethylsilanylethynyl-7H-pyrrolo [2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propionamide
- IUPAC
- N-[4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-trimethylsilylethynyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide
Names & synonyms
SCHEMBL312473QQMOXESXOSMQDA-UHFFFAOYSA-NN-[4-Chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-5-trimethylsilanylethynyl-7H-pyrrolo [2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propionamideN-[4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-5-trimethylsilanylethynyl-7H-pyrrolo[2,3-d]pyrimidin -2-yl]-2,2-dimethyl-propionamideN-[4-Chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-5-trimethylsilanylethynyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propionamide
Database identifiers
- PubChem CID
- 57713844
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 801
Related reactions
5 records
Compound notes
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