CWP

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Summary

Name:N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine
Formula:C13 H16 N6
Formal charge:0
Molecular weight:256.306 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine
OpenEye OEToolkits2.0.6~{N}-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-3~{H}-imidazo[4,5-b]pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(nc2c(n1)ccc(C)n2)NCc3cc(C)nn3C
InChIInChI1.03InChI=1S/C13H16N6/c1-8-4-5-11-12(15-8)17-13(16-11)14-7-10-6-9(2)18-19(10)3/h4-6H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyInChI1.03CZOWPFJOPIQOCT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nc(C)cc1CNc2[nH]c3nc(C)ccc3n2
SMILESCACTVS3.385Cn1nc(C)cc1CNc2[nH]c3nc(C)ccc3n2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C
SMILESOpenEye OEToolkits2.0.6Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C
167327
PDB entries from 2020-08-05