0JQ

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Summary

Name:2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
Formula:C24 H30 N4 O3
Formal charge:0
Molecular weight:422.52 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
OpenEye OEToolkits1.7.62-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-pyridin-2-yl]piperidin-4-yl]propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3cc(c1c2cc(OC)c(OC)cc2nnc1)cc(c3N4CCC(CC4)C(O)(C)C)C
InChIInChI1.03InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3
InChIKeyInChI1.03PPAWFHDEPAUENY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc2nncc(c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC
SMILESCACTVS3.370COc1cc2nncc(c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC
SMILESOpenEye OEToolkits1.7.6Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC
169117
PDB entries from 2020-09-23