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SummaryGeometryRelated PDB entries

A1DM6

Summary
Name:3-[1-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-4-yl]-2,4-dimethoxypyridine
Formula:C17 H24 N4 O2
Formal charge:0
Formula weight:316.398 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-[1-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-4-yl]-2,4-dimethoxypyridine
OpenEye OEToolkits3.1.0.03-[1-(3,5-dimethyl-1~{H}-pyrazol-4-yl)piperidin-4-yl]-2,4-dimethoxy-pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1n[NH]c(C)c1N1CCC(CC1)c1c(OC)ccnc1OC
InChIInChI1.06InChI=1S/C17H24N4O2/c1-11-16(12(2)20-19-11)21-9-6-13(7-10-21)15-14(22-3)5-8-18-17(15)23-4/h5,8,13H,6-7,9-10H2,1-4H3,(H,19,20)
InChIKeyInChI1.06ADRRLVQEGPYDSR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccnc(OC)c1C2CCN(CC2)c3c(C)[nH]nc3C
SMILESCACTVS3.385COc1ccnc(OC)c1C2CCN(CC2)c3c(C)[nH]nc3C
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1c(c(n[nH]1)C)N2CCC(CC2)c3c(ccnc3OC)OC
SMILESOpenEye OEToolkits3.1.0.0Cc1c(c(n[nH]1)C)N2CCC(CC2)c3c(ccnc3OC)OC

262513

PDB entries from 2026-11-04

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