3R0

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine

Created:2014-10-10
Last modified:  2014-11-26

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count54
Aromatic Bond Count21
2D diagram of 3R0

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Chemical Component Summary

NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine
Systematic Name (OpenEye OEToolkits)N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine
FormulaC19 H21 N9 O
Molecular Weight391.43
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(C)C5CCN(c1nccc(n1)Nc3ncc2nc(nc2c3)c4cnnc4)CC5
SMILESCACTVS3.385COC1CCN(CC1)c2nccc(Nc3cc4nc([nH]c4cn3)c5c[nH]nc5)n2
SMILESOpenEye OEToolkits1.7.6COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5
Canonical SMILESCACTVS3.385 COC1CCN(CC1)c2nccc(Nc3cc4nc([nH]c4cn3)c5c[nH]nc5)n2
Canonical SMILESOpenEye OEToolkits1.7.6 COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5
InChIInChI1.03 InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)
InChIKeyInChI1.03 CBLSWPLVIPVELR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 86278568
ChEMBL CHEMBL3354185