Basic information
- Standard SMILES
C#Cc1ccc2c(/C=C3\Oc4c(ccc(O)c4CN4CCNCC4)C3=O)c[nH]c2n1.Cl.Cl.Cl- InChIKey
NKCBNZLXHQDNGR-GJAGSOOCSA-N- Molecular formula
- C23H23Cl3N4O3
- Average molar mass
- 509.8 g/mol
Names & identifiers
- Preferred name
- (Z)-2-[(6-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-6-hydroxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one trihydrochloride
- IUPAC
- (2Z)-2-[(6-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-6-hydroxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;trihydrochloride
Names & synonyms
SCHEMBL14735065NKCBNZLXHQDNGR-GJAGSOOCSA-N(Z)-2-[(6-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-6-hydroxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one trihydrochloride
Database identifiers
- PubChem CID
- 86682006
Properties
Computed structural properties
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 740
Related reactions
1 records
Compound notes
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