4YV

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

Created:2015-06-26
Last modified:  2015-10-28

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count60
Aromatic Bond Count16
2D diagram of 4YV

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Chemical Component Summary

Name1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine
Systematic Name (OpenEye OEToolkits)1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
FormulaC21 H27 N7 O
Molecular Weight393.485
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CN(CCC1OC)c2nc(ccn2)Nc4cc3n(cnc3cn4)C5CCCC5
SMILESCACTVS3.385COC1CCN(CC1)c2nccc(Nc3cc4n(cnc4cn3)C5CCCC5)n2
SMILESOpenEye OEToolkits1.9.2COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5
Canonical SMILESCACTVS3.385 COC1CCN(CC1)c2nccc(Nc3cc4n(cnc4cn3)C5CCCC5)n2
Canonical SMILESOpenEye OEToolkits1.9.2 COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5
InChIInChI1.03 InChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26)
InChIKeyInChI1.03 HVRZVMCNHMWTOQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3734825
PubChem 90178371
ChEMBL CHEMBL3734825