Basic information
- Standard SMILES
CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCC(F)(C#N)C4)C(C)(C)C)c3n2)cn1- InChIKey
SRVALBCGGSQHIM-XNUZUHMRSA-N- Molecular formula
- C23H27FN8O2
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.2241003
Names & identifiers
- Preferred name
- 2-(1-Ethyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(3-cyano-3-fluoro-pyrrolidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
- IUPAC
- N-[(2R)-1-(3-cyano-3-fluoropyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL12247471SRVALBCGGSQHIM-XNUZUHMRSA-N2-(1-Ethyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(3-cyano-3-fluoro-pyrrolidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
Database identifiers
- PubChem CID
- 58438588
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 841
Related reactions
1 records
Compound notes
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