Basic information
- Standard SMILES
CN1CCN(c2ccc(Nc3ncc(-c4csc(C(N)=O)c4)n4ncnc34)cc2)CC1- InChIKey
JGGDMMYPOPZHLL-UHFFFAOYSA-N- Molecular formula
- C21H22N8OS
- Average molar mass
- 434.5 g/mol
Names & identifiers
- Preferred name
- 4-{8-[4-(4-Methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl}-thiophene-2-carboxylic acid amide
- IUPAC
- 4-[8-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophene-2-carboxamide
Names & synonyms
SCHEMBL1476556JGGDMMYPOPZHLL-UHFFFAOYSA-N4-{8-[4-(4-Methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl}-thiophene-2-carboxylic acid amide
Database identifiers
- PubChem CID
- 57589928
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 625
Related reactions
67 records
Compound notes
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