H6W

~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine

Created:2018-11-19
Last modified:  2020-03-11

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count49
Aromatic Bond Count16
2D diagram of H6W

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine
Systematic Name (OpenEye OEToolkits)~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine
FormulaC18 H21 N5 O2
Molecular Weight339.392
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN(C)CCCNc1ccn2ncc(c3ccc4OCOc4c3)c2n1
SMILESOpenEye OEToolkits2.0.6CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4
Canonical SMILESCACTVS3.385 CN(C)CCCNc1ccn2ncc(c3ccc4OCOc4c3)c2n1
Canonical SMILESOpenEye OEToolkits2.0.6 CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4
InChIInChI1.03 InChI=1S/C18H21N5O2/c1-22(2)8-3-7-19-17-6-9-23-18(21-17)14(11-20-23)13-4-5-15-16(10-13)25-12-24-15/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,19,21)
InChIKeyInChI1.03 DQYRQFLRDJTHQM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146018674