Basic information
- Standard SMILES
C[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cccnc34)nc12)C(=O)N1CC(C#N)C1- InChIKey
XXPRKDWITNUTMG-LLVKDONJSA-N- Molecular formula
- C21H19N9O2
- Average molar mass
- 429.4 g/mol
- Monoisotopic mass
- 429.16617088
Names & identifiers
- Preferred name
- 2-(1-Methyl-1H-pyrazolo[4,3-b]pyridin-3-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-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14751708XXPRKDWITNUTMG-LLVKDONJSA-N2-(1-Methyl-1H-pyrazolo[4,3-b]pyridin-3-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
- 71288673
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 793
Related reactions
1 records
Compound notes
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