4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CHEBI:64055)

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ChEBI Name	4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

ChEBI ID	CHEBI:64055

ChEBI ASCII Name	4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

Definition	A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT_1B) full agonist, 10-fold selective over 5-HT_1A and 1000-fold selective over 5-HT_2C receptors. Centrally active following systemic administration.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C17H17F3N4

Net Charge

Average Mass

334.33890

Monoisotopic Mass

334.14053

InChI

InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3

InChIKey

LXFHSCDLMBZYKY-UHFFFAOYSA-N

SMILES

CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.

Application(s):	serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.

ChEBI Ontology
Outgoing	4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CHEBI:64055) has role serotonergic agonist (CHEBI:35941) 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CHEBI:64055) is a N-arylpiperazine (CHEBI:46848) 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CHEBI:64055) is a organofluorine compound (CHEBI:37143) 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CHEBI:64055) is a pyrroloquinoxaline (CHEBI:64056)

Incoming	4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate (CHEBI:64053) has part 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CHEBI:64055)

IUPAC Name

4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

Synonym	Source
CGS 12066B	ChEBI

Registry Number	Type	Source
4206934	Reaxys Registry Number	Reaxys

Last Modified

24 February 2016