2-(1H-imidazol-1-yl)-3-(trifluoromethyl)imidazo[1,2-a]pyrido[3,2-e]pyrazin-6(5H)-one

ID: ALA5209014

PubChem CID: 168297294

Max Phase: Preclinical

Molecular Formula: C13H7F3N6O

Molecular Weight: 320.23

Associated Items:

This compound is not in our inventory system

Names and Identifiers

Canonical SMILES:  O=c1[nH]c2cc(C(F)(F)F)c(-n3ccnc3)nc2n2ccnc12

Standard InChI:  InChI=1S/C13H7F3N6O/c14-13(15,16)7-5-8-10(20-9(7)21-3-1-17-6-21)22-4-2-18-11(22)12(23)19-8/h1-6H,(H,19,23)

Standard InChI Key:  GDZVLWJCLHAHHI-UHFFFAOYSA-N

Molfile:  

 
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M  END

Alternative Forms

  1. Parent:

    ALA5209014

    ---

Associated Targets(Human)

GRIA4 Tclin Glutamate receptor ionotropic AMPA (265 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 320.23Molecular Weight (Monoisotopic): 320.0633AlogP: 1.78#Rotatable Bonds: 1
Polar Surface Area: 80.87Molecular Species: NEUTRALHBA: 6HBD: 1
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 5.80CX LogP: 1.84CX LogD: 1.84
Aromatic Rings: 4Heavy Atoms: 23QED Weighted: 0.58Np Likeness Score: -1.54

References

1. Jiang X, Wu K, Bai R, Zhang P, Zhang Y..  (2022)  Functionalized quinoxalinones as privileged structures with broad-ranging pharmacological activities.,  229  [PMID:34998058] [10.1016/j.ejmech.2021.114085]

Source