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67U

Summary
Name:6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
Formula:C13 H14 Br N5
Formal charge:0
Formula weight:320.188 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
OpenEye OEToolkits2.0.46-bromanyl-2-(1-methyl-3-propan-2-yl-pyrazol-4-yl)-1~{H}-imidazo[4,5-b]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)c1c(cn(n1)C)c3nc2c(ncc(c2)Br)n3
InChIInChI1.03InChI=1S/C13H14BrN5/c1-7(2)11-9(6-19(3)18-11)12-16-10-4-8(14)5-15-13(10)17-12/h4-7H,1-3H3,(H,15,16,17)
InChIKeyInChI1.03XYHWYOLLASBNRO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1nn(C)cc1c2[nH]c3cc(Br)cnc3n2
SMILESCACTVS3.385CC(C)c1nn(C)cc1c2[nH]c3cc(Br)cnc3n2
SMILES_CANONICALOpenEye OEToolkits2.0.4CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br
SMILESOpenEye OEToolkits2.0.4CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br

223532

건을2024-08-07부터공개중

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