3RT

N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine

Created:2014-10-15
Last modified:  2016-01-20

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count0
Bond Count67
Aromatic Bond Count20
2D diagram of 3RT
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Chemical Component Summary

NameN~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine
Systematic Name (OpenEye OEToolkits)N3-(oxan-4-yl)-N6-[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine
FormulaC24 H29 N7 O2
Molecular Weight447.533
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n6c(NC1CCOCC1)c5ccc(Nc2nc3cccc(n3n2)CC4CCOCC4)cc5n6
SMILESCACTVS3.385C1CC(CCO1)Cc2cccc3nc(Nc4ccc5c([nH]nc5NC6CCOCC6)c4)nn23
SMILESOpenEye OEToolkits1.9.2c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6
Canonical SMILESCACTVS3.385 C1CC(CCO1)Cc2cccc3nc(Nc4ccc5c([nH]nc5NC6CCOCC6)c4)nn23
Canonical SMILESOpenEye OEToolkits1.9.2 c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6
InChIInChI1.03 InChI=1S/C24H29N7O2/c1-2-19(14-16-6-10-32-11-7-16)31-22(3-1)27-24(30-31)26-18-4-5-20-21(15-18)28-29-23(20)25-17-8-12-33-13-9-17/h1-5,15-17H,6-14H2,(H,26,30)(H2,25,28,29)
InChIKeyInChI1.03 SHDAHIVOLRESPS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 46175187