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A1B8Y

Summary
Name:(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide
Formula:C17 H21 F2 N3 O
Formal charge:0
Formula weight:321.365 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide
OpenEye OEToolkits3.1.0.0(7~{S})-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-2,2-bis(fluoranyl)-7-methyl-6-azaspiro[3.4]octane-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC1CC2(CC(F)(F)C2)CN1C(=O)Nc1cc2CNCc2cc1
InChIInChI1.06InChI=1S/C17H21F2N3O/c1-11-5-16(8-17(18,19)9-16)10-22(11)15(23)21-14-3-2-12-6-20-7-13(12)4-14/h2-4,11,20H,5-10H2,1H3,(H,21,23)
InChIKeyInChI1.06AJUFHWAMJUHFGK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1CC2(CN1C(=O)Nc3ccc4CNCc4c3)CC(F)(F)C2
SMILESCACTVS3.385C[CH]1CC2(CN1C(=O)Nc3ccc4CNCc4c3)CC(F)(F)C2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@H]1CC2(CC(C2)(F)F)CN1C(=O)Nc3ccc4c(c3)CNC4
SMILESOpenEye OEToolkits3.1.0.0CC1CC2(CC(C2)(F)F)CN1C(=O)Nc3ccc4c(c3)CNC4

250835

PDB entries from 2026-03-18

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