(2S)-4,4-bis(fluoranyl)-1-[2-[[3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-4,4-bis(fluoranyl)-1-[2-[[3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-4,4-difluoro-1-[2-[[3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-4,4-difluoro-1-[1-oxo-2-[[3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)-1-adamantyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-4,4-difluoro-1-[2-[[3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-4,4-difluoro-1-[2-[[3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C23H27F2N7O MolecularWeight: 455.503586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC4=NN5C=CC=CC5=N4)NCC(=O)N6CC(CC6C#N)(F)F

Isomeric SMILES

C1[C@H](N(CC1(F)F)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NC5=NN6C=CC=CC6=N5)C#N

InChI

InChI=1S/C23H27F2N7O/c24-23(25)10-17(11-26)31(14-23)19(33)12-27-21-6-15-5-16(7-21)9-22(8-15,13-21)29-20-28-18-3-1-2-4-32(18)30-20/h1-4,15-17,27H,5-10,12-14H2,(H,29,30)/t15?,16?,17-,21?,22?/m0/s1