Basic information
- Standard SMILES
CN(CC#N)C(=O)c1ccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)s1- InChIKey
HVOYVURBJCSLQU-UHFFFAOYSA-N- Molecular formula
- C19H19N5O2S
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- 5-[7-(2,2-dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-thiophene-2-carboxylic acid cyanomethyl-methyl-amide
- IUPAC
- N-(cyanomethyl)-5-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-methylthiophene-2-carboxamide
Names & synonyms
SCHEMBL1890936HVOYVURBJCSLQU-UHFFFAOYSA-N5-[7-(2,2-dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-thiophene-2-carboxylic acid cyanomethyl-methyl-amide
Database identifiers
- PubChem CID
- 57829619
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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