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IJW

Summary
Name:6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
Formula:C23 H25 N5 O3
Formal charge:0
Formula weight:419.476 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
OpenEye OEToolkits3.1.0.06-cyclopropyl-3-[(1-methyl-4-phenyl-imidazol-2-yl)methoxy]-~{N}-[(3~{S})-oxolan-3-yl]pyrazine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NC1CCOC1)c1nc(cnc1OCc1nc(cn1C)c1ccccc1)C1CC1
InChIInChI1.06InChI=1S/C23H25N5O3/c1-28-12-19(15-5-3-2-4-6-15)26-20(28)14-31-23-21(22(29)25-17-9-10-30-13-17)27-18(11-24-23)16-7-8-16/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyInChI1.06GQFCKANWCZVWER-KRWDZBQOSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(nc1COc2ncc(nc2C(=O)N[C@H]3CCOC3)C4CC4)c5ccccc5
SMILESCACTVS3.385Cn1cc(nc1COc2ncc(nc2C(=O)N[CH]3CCOC3)C4CC4)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1cc(nc1COc2c(nc(cn2)C3CC3)C(=O)N[C@H]4CCOC4)c5ccccc5
SMILESOpenEye OEToolkits3.1.0.0Cn1cc(nc1COc2c(nc(cn2)C3CC3)C(=O)NC4CCOC4)c5ccccc5

248335

PDB entries from 2026-01-28

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