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SummaryGeometryRelated PDB entries

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Summary
Name:(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine
Formula:C21 H26 N6 O2
Formal charge:0
Formula weight:394.47 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine
OpenEye OEToolkits2.0.7(3~{R})-3-methyl-4-[5-[(3~{S})-3-methylmorpholin-4-yl]-2-pyridin-2-yl-1~{H}-imidazo[4,5-b]pyridin-7-yl]morpholine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC1COCCN1c1cc(nc2nc([NH]c21)c1ccccn1)N1CCOCC1C
InChIInChI1.06InChI=1S/C21H26N6O2/c1-14-12-28-9-7-26(14)17-11-18(27-8-10-29-13-15(27)2)23-21-19(17)24-20(25-21)16-5-3-4-6-22-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1
InChIKeyInChI1.06WJWKTGFLLWKVGW-CABCVRRESA-N
SMILES_CANONICALCACTVS3.385C[C@H]1COCCN1c2cc(N3CCOC[C@H]3C)c4[nH]c(nc4n2)c5ccccn5
SMILESCACTVS3.385C[CH]1COCCN1c2cc(N3CCOC[CH]3C)c4[nH]c(nc4n2)c5ccccn5
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H]1COCCN1c2cc(nc3c2[nH]c(n3)c4ccccn4)N5CCOC[C@@H]5C
SMILESOpenEye OEToolkits2.0.7CC1COCCN1c2cc(nc3c2[nH]c(n3)c4ccccn4)N5CCOCC5C

224931

PDB entries from 2024-09-11

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