22K

5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

Created:2010-09-14
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count47
Aromatic Bond Count16
2D diagram of 22K

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

Name5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Systematic Name (OpenEye OEToolkits)5-[(1R,3S)-3-azanylcyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
FormulaC16 H20 Br N7
Molecular Weight390.281
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1c(N)n3ncc(c3nc1C2CCCC(N)C2)c4cn(nc4)C
SMILESCACTVS3.370Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)[CH]4CCC[CH](N)C4
SMILESOpenEye OEToolkits1.7.0Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)C4CCCC(C4)N
Canonical SMILESCACTVS3.370 Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)[C@@H]4CCC[C@H](N)C4
Canonical SMILESOpenEye OEToolkits1.7.0 Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N
InChIInChI1.03 InChI=1S/C16H20BrN7/c1-23-8-10(6-20-23)12-7-21-24-15(19)13(17)14(22-16(12)24)9-3-2-4-11(18)5-9/h6-9,11H,2-5,18-19H2,1H3/t9-,11+/m1/s1
InChIKeyInChI1.03 CKLKHZYNDIKOOE-KOLCDFICSA-N

Related Resource References

Resource NameReference
PubChem 49866432