Basic information
- Standard SMILES
C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)CN4CCC(OC(=O)c5ccccc5)C(F)C4)c3)ncnc21- InChIKey
PGPWGPNKEYOSTL-UHFFFAOYSA-N- Molecular formula
- C31H38FN7O3Si
- Average molar mass
- 603.8 g/mol
Names & identifiers
- Preferred name
- 1-{3-Cyano-2-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propyl}-3-fluoropiperidin-4-yl benzoate
- IUPAC
- [1-[3-cyano-2-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propyl]-3-fluoropiperidin-4-yl] benzoate
Names & synonyms
SCHEMBL6126963PGPWGPNKEYOSTL-UHFFFAOYSA-N1-{3-Cyano-2-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propyl}-3-fluoropiperidin-4-yl benzoate
Database identifiers
- PubChem CID
- 69675529
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 957
Related reactions
1 records
Compound notes
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