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SummaryGeometryRelated PDB entries

A1D95

Summary
Name:7-[2-fluoranyl-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine
Formula:C22 H22 F N5 O2
Formal charge:0
Formula weight:407.441 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-[2-fluoranyl-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H22FN5O2/c1-12-19(13(2)28(3)27-12)18-7-15(30-10-14-8-29-9-14)6-17(20(18)23)16-4-5-24-22-21(16)25-11-26-22/h4-7,11,14H,8-10H2,1-3H3,(H,24,25,26)
InChIKeyInChI1.06JUMXBRHFDXULAH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1nc(C)c(c1C)c2cc(OCC3COC3)cc(c2F)c4ccnc5nc[nH]c45
SMILESCACTVS3.385Cn1nc(C)c(c1C)c2cc(OCC3COC3)cc(c2F)c4ccnc5nc[nH]c45
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(n(n1)C)C)c2cc(cc(c2F)c3ccnc4c3[nH]cn4)OCC5COC5
SMILESOpenEye OEToolkits2.0.7Cc1c(c(n(n1)C)C)c2cc(cc(c2F)c3ccnc4c3[nH]cn4)OCC5COC5

250835

PDB entries from 2026-03-18

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