Basic information
- Standard SMILES
CN1CCN(C(=O)C(C#N)=Cc2ccc(Nc3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)cc2)CC1- InChIKey
GXRCRISNWDNIOW-UHFFFAOYSA-N- Molecular formula
- C26H29N7O2
- Average molar mass
- 471.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-methylpiperazine-1-carbonyl)-3-(4-(7-pivaloyl-5H-pyrrolo[2,3-b]pyrazin-2-ylamino)phenyl)acrylonitrile
- IUPAC
- 3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
Names & synonyms
SCHEMBL13858100SCHEMBL13975872GXRCRISNWDNIOW-UHFFFAOYSA-N2-(4-methylpiperazine-1-carbonyl)-3-(4-(7-pivaloyl-5H-pyrrolo[2,3-b]pyrazin-2-ylamino)phenyl)acrylonitrile
Database identifiers
- PubChem CID
- 71014188
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 857
Related reactions
1 records
Compound notes
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