Basic information
- Standard SMILES
Cn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCC(C#N)CC4)C(C)(C)C)c3n2)cn1- InChIKey
ZLEGYKNUTOPEOF-IBGZPJMESA-N- Molecular formula
- C23H28N8O2
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- 2-(1-Methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyano-piperidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
- IUPAC
- N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL2378731ZLEGYKNUTOPEOF-IBGZPJMESA-N2-(1-Methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyano-piperidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
Database identifiers
- PubChem CID
- 53386203
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 781
Related reactions
1 records
Compound notes
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