3-(3-nitrophenyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

HCID 57480652

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

Related reactions

8 records

Compound notes

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