Basic information
- Standard SMILES
CNC(=O)c1ccnc(-c2cnc3[nH]cc(C(=O)N[C@H](C)C(=O)N4CC(C#N)C4)c3n2)c1- InChIKey
PURDOALKDOWFLM-LLVKDONJSA-N- Molecular formula
- C21H20N8O3
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.16583653
Names & identifiers
- Preferred name
- 2-(4-Methylcarbamoyl-pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
- IUPAC
- N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[4-(methylcarbamoyl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL2379251PURDOALKDOWFLM-LLVKDONJSA-N2-(4-Methylcarbamoyl-pyridin-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide
Database identifiers
- PubChem CID
- 53385691
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 791
Related reactions
1 records
Compound notes
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