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A1CYY

Summary
Name:2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline
Formula:C18 H17 F2 N3
Formal charge:0
Formula weight:313.344 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline
OpenEye OEToolkits3.1.0.02-[(1~{R})-2,2-bis(fluoranyl)cyclopropyl]-~{N}-[(1-methylindazol-6-yl)methyl]aniline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC1(F)CC1c1ccccc1NCc1ccc2cnn(C)c2c1
InChIInChI1.06InChI=1S/C18H17F2N3/c1-23-17-8-12(6-7-13(17)11-22-23)10-21-16-5-3-2-4-14(16)15-9-18(15,19)20/h2-8,11,15,21H,9-10H2,1H3/t15-/m1/s1
InChIKeyInChI1.06XFVSAPGKSJEWES-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385Cn1ncc2ccc(CNc3ccccc3[C@H]4CC4(F)F)cc12
SMILESCACTVS3.385Cn1ncc2ccc(CNc3ccccc3[CH]4CC4(F)F)cc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1c2cc(ccc2cn1)CNc3ccccc3[C@H]4CC4(F)F
SMILESOpenEye OEToolkits3.1.0.0Cn1c2cc(ccc2cn1)CNc3ccccc3C4CC4(F)F

248335

PDB entries from 2026-01-28

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