3K9

1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one


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Chemical Component Summary

Name1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
Identifiers1-(2-fluoranyl-4-pyrazol-1-yl-phenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
FormulaC23 H17 F N6 O2
Molecular Weight428.418
TypeNON-POLYMER
Isomeric SMILESCOC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5
InChIInChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3
InChIKeyKVHRYLNQDWXAGI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count53
Aromatic Bond Count22

Drug Info: DrugBank

DrugBank IDDB14774 
NameBalipodect
Groups investigational
DescriptionBalipodect is under investigation in clinical trial NCT01892189 (Effects of TAK-063 on Preventing Ketamine-Induced Brain Activity Changes as Well as Psychotic-Like Symptoms in Healthy Male Adults).
SynonymsBalipodect
CAS number1238697-26-1

Related Resource References

Resource NameReference
PubChem 46848915
ChEMBL CHEMBL3989972