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EK3

Summary
Name:N-cyclohexyl-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine
Formula:C20 H21 F N4
Formal charge:0
Formula weight:336.406 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-cyclohexyl-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine
OpenEye OEToolkits1.7.6N-cyclohexyl-4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc4ccc(c1nncc1c3ccnc(NC2CCCCC2)c3)cc4
InChIInChI1.03InChI=1S/C20H21FN4/c21-16-8-6-14(7-9-16)20-18(13-23-25-20)15-10-11-22-19(12-15)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,22,24)(H,23,25)
InChIKeyInChI1.03JMLIPRNMUGOAAS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Fc1ccc(cc1)c2n[nH]cc2c3ccnc(NC4CCCCC4)c3
SMILESCACTVS3.370Fc1ccc(cc1)c2n[nH]cc2c3ccnc(NC4CCCCC4)c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F

225946

PDB entries from 2024-10-09

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