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Basic information
- Standard SMILES
CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)CCC(=O)N4CCN(C)CC4)c3)cc21- InChIKey
GYGFDGOZODBIKK-UHFFFAOYSA-N- Molecular formula
- C25H28N8O4
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.2233514
Names & identifiers
- Preferred name
- 1-(3-{[2-(4-amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(4-methyl-1-piperazinyl)-4-oxo-1-butanone
- IUPAC
- 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(4-methylpiperazin-1-yl)butane-1,4-dione
Names & synonyms
SCHEMBL4008062GYGFDGOZODBIKK-UHFFFAOYSA-N1-(3-{[2-(4-amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(4-methyl-1-piperazinyl)-4-oxo-1-butanone
Database identifiers
- PubChem CID
- 57721181
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 797
Related reactions
2 records
Compound notes
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