4-[(2S)-3-[[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]amino]-2-oxidanyl-propoxy]spiro[1H-indole-3,1'-cyclopentane]-2-one

Systemtic Name: 4-[(2S)-3-[[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]amino]-2-oxidanyl-propoxy]spiro[1H-indole-3,1'-cyclopentane]-2-one Openeye Name: 4'-[(2S)-3-[[1,1-dimethyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]amino]-2-hydroxy-propoxy]spiro[cyclopentane-1,3'-indoline]-2'-one CAS Name: 4-[(2S)-2-hydroxy-3-[[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]amino]propoxy]-2-spiro[1H-indole-3,1'-cyclopentane]one IUPAC Name: 4-[(2S)-2-hydroxy-3-[[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]amino]propoxy]spiro[1H-indole-3,1'-cyclopentane]-2-one Traditional Name: 4'-[(2S)-3-[[1,1-dimethyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]amino]-2-hydroxy-propoxy]spiro[cyclopentane-1,3'-indoline]-2'-one Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CNC2=C1C=CC=N2)NCC(COC3=CC=CC4=C3C5(CCCC5)C(=O)N4)O

Isomeric SMILES

CC(C)(CC1=CNC2=C1C=CC=N2)NC[C@@H](COC3=CC=CC4=C3C5(CCCC5)C(=O)N4)O

InChI

InChI=1S/C26H32N4O3/c1-25(2,13-17-14-28-23-19(17)7-6-12-27-23)29-15-18(31)16-33-21-9-5-8-20-22(21)26(24(32)30-20)10-3-4-11-26/h5-9,12,14,18,29,31H,3-4,10-11,13,15-16H2,1-2H3,(H,27,28)(H,30,32)/t18-/m0/s1