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81Y

Summary
Name:3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole
Synonyms:MLi-2
Formula:C19 H22 N4 O2
Formal charge:0
Formula weight:338.404 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole
OpenEye OEToolkits2.0.64-[4-(5-propan-2-yloxy-1~{H}-indazol-3-yl)pyridin-2-yl]morpholine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4
InChIInChI1.03InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
InChIKeyInChI1.03BGTSLFFCVKEYPT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1ccc2[nH]nc(c3ccnc(c3)N4CCOCC4)c2c1
SMILESCACTVS3.385CC(C)Oc1ccc2[nH]nc(c3ccnc(c3)N4CCOCC4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4
SMILESOpenEye OEToolkits2.0.6CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4

219869

PDB entries from 2024-05-15

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