RL3

[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone


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Chemical Component Summary

Name[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone
Identifiers[5-(6-bromanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-bis(oxidanyl)phenyl]-(4-methylpiperazin-1-yl)methanone
FormulaC18 H18 Br N5 O3
Molecular Weight432.271
TypeNON-POLYMER
Isomeric SMILESCN1CCN(CC1)C(=O)c2cc(c(cc2O)O)c3nnc4n3cc(cc4)Br
InChIInChI=1S/C18H18BrN5O3/c1-22-4-6-23(7-5-22)18(27)13-8-12(14(25)9-15(13)26)17-21-20-16-3-2-11(19)10-24(16)17/h2-3,8-10,25-26H,4-7H2,1H3
InChIKeyMORDYVAZUXQMHB-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count48
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 136498886
ChEMBL CHEMBL3260475