Basic information
- Standard SMILES
C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)c4cccc([N+](=O)[O-])c4)c3)ncnc21- InChIKey
POEJVHJAKULLFM-UHFFFAOYSA-N- Molecular formula
- C24H27N7O3Si
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.19446428
Names & identifiers
- Preferred name
- 3-(3-nitrophenyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
- IUPAC
- 3-(3-nitrophenyl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
Names & synonyms
SCHEMBL101631POEJVHJAKULLFM-UHFFFAOYSA-N3-(3-nitrophenyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Database identifiers
- PubChem CID
- 57480652
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 766
Related reactions
8 records
Compound notes
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