2-(2-chlorothiazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyano-piperidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
Basic information
- Standard SMILES
CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(-c3cnc(Cl)s3)nc12)C(=O)N1CCC(C#N)CC1- InChIKey
QVTVYEOGGSVHKS-KRWDZBQOSA-N- Molecular formula
- C22H24ClN7O2S
- Average molar mass
- 486 g/mol
Names & identifiers
- Preferred name
- 2-(2-chlorothiazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyano-piperidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
- IUPAC
- 2-(2-chloro-1,3-thiazol-5-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL2377630QVTVYEOGGSVHKS-KRWDZBQOSA-N2-(2-chlorothiazol-5-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
- 53385692
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 791
Related reactions
1 records
Compound notes
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