CHEBI:134392 - 3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile
ChEBI ID CHEBI:134392
ChEBI ASCII Name 3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile
Definition An imidazoindole that is 9H-imidazo[1,2-a]indole which is substituted at positions 2, 3, 7, and 9 by cyano, amino, 4-methylpiperazin-1-yl, and oxo groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kalra
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C16H16N6O
Net Charge 0
Average Mass 308.338
Monoisotopic Mass 308.13856
InChI InChI=1S/C16H16N6O/c1-20-4-6-21(7-5-20)10-2-3-13-11(8-10)14(23)16-19-12(9-17)15(18)22(13)16/h2-3,8H,4-7,18H2,1H3
InChIKey UDCNQEVZQDDVEY-UHFFFAOYSA-N
SMILES C1=CC(=CC2=C1N3C(=C(N=C3C2=O)C#N)N)N4CCN(CC4)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile (CHEBI:134392) is a N-arylpiperazine (CHEBI:46848)
3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile (CHEBI:134392) is a N-methylpiperazine (CHEBI:46920)
3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile (CHEBI:134392) is a imidazoindole (CHEBI:64547)
3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile (CHEBI:134392) is a nitrile (CHEBI:18379)
3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile (CHEBI:134392) is a primary amino compound (CHEBI:50994)
IUPAC Name
3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile
Last Modified
13 April 2017