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A1J3F

Summary
Name:N-[(3-fluoranyl-4-methoxy-pyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxidanylidenepyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
Formula:C26 H26 F N5 O4
Formal charge:0
Formula weight:491.514 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(3-fluoranyl-4-methoxy-pyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxidanylidenepyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)
InChIKeyInChI1.06KGMPDQIYDKKXRD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCc1nn(Cc2ccc(CN3C=CC=CC3=O)cc2)cc1C(=O)NCc4nccc(OC)c4F
SMILESCACTVS3.385COCc1nn(Cc2ccc(CN3C=CC=CC3=O)cc2)cc1C(=O)NCc4nccc(OC)c4F
SMILES_CANONICALOpenEye OEToolkits2.0.7COCc1c(cn(n1)Cc2ccc(cc2)CN3C=CC=CC3=O)C(=O)NCc4c(c(ccn4)OC)F
SMILESOpenEye OEToolkits2.0.7COCc1c(cn(n1)Cc2ccc(cc2)CN3C=CC=CC3=O)C(=O)NCc4c(c(ccn4)OC)F

255900

PDB entries from 2026-07-01

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