5-(4-(7-pivaloyl-5H-pyrrolo[2,3-b]pyrazin-2-ylamino)benzylidene)thiazolidine-2,4-dione
Basic information
- Standard SMILES
CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C4SC(=O)NC4=O)cc3)nc12- InChIKey
ZEKMHJMIMRPSOF-UHFFFAOYSA-N- Molecular formula
- C21H19N5O3S
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- 5-(4-(7-pivaloyl-5H-pyrrolo[2,3-b]pyrazin-2-ylamino)benzylidene)thiazolidine-2,4-dione
- IUPAC
- 5-[[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Names & synonyms
SCHEMBL13858487ZEKMHJMIMRPSOF-UHFFFAOYSA-N5-(4-(7-pivaloyl-5H-pyrrolo[2,3-b]pyrazin-2-ylamino)benzylidene)thiazolidine-2,4-dione
Database identifiers
- PubChem CID
- 78079063
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 741
Related reactions
1 records
Compound notes
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