O38

6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile

Created: 2014-09-11
Last modified:  2015-04-08

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count0
Bond Count60
Aromatic Bond Count17
2D diagram of O38
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Chemical Component Summary

Name6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)6-[[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)phenyl]amino]-2-(cyclohexylamino)pyridine-3-carbonitrile
FormulaC24 H25 N7 O
Molecular Weight427.502
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01N#Cc2ccc(nc2NC1CCCCC1)Nc4cc(OCC#N)c(c3cn(nc3)C)cc4
SMILESCACTVS3.385Cn1cc(cn1)c2ccc(Nc3ccc(C#N)c(NC4CCCCC4)n3)cc2OCC#N
SMILESOpenEye OEToolkits1.7.6Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N
Canonical SMILESCACTVS3.385 Cn1cc(cn1)c2ccc(Nc3ccc(C#N)c(NC4CCCCC4)n3)cc2OCC#N
Canonical SMILESOpenEye OEToolkits1.7.6 Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N
InChIInChI1.03 InChI=1S/C24H25N7O/c1-31-16-18(15-27-31)21-9-8-20(13-22(21)32-12-11-25)28-23-10-7-17(14-26)24(30-23)29-19-5-3-2-4-6-19/h7-10,13,15-16,19H,2-6,12H2,1H3,(H2,28,29,30)
InChIKeyInChI1.03 OVHGMKGIRAADEL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 70799413