(3aS,4R,9bR)-N-(2,5-difluorophenyl)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

Properties Image MNX_ID MNXM171919 reference chebi:124944 formula C27H24F2N4O2 global charge 0 mol weight 474.511 InChIKey LEIVAVATBPHLGA-RFLWCCGPSA-N InChI InChI=1S/C27H24F2N4O2/c1-32-24-9-6-17(4-5-18-3-2-11-30-15-18)13-21(24)26-20(25(32)16-34)10-12-33(26)27(35)31-23-14-19(28)7-8-22(23)29/h2-3,6-9,11,13-15,20,25-26,34H,10,12,16H2,1H3,(H,31,35)/t20-,25+,26-/m1/s1 SMILES CN1C2=C(C=C(C#CC3=CN=CC=C3)C=C2)[C@H]2[C@H](CCN2C(=O)NC2=C(F)C=CC(F)=C2)[C@@H]1CO MNX internals InChI (mnx) InChI=1/C27H24F2N4O2/c1-32-24-9-6-17(4-5-18-3-2-11-30-15-18)13-21(24)26-20(25(32)16-34)10-12-33(26)27(35)31-23-14-19(28)7-8-22(23)29/h2-3,6-9,11,13-15,20,25-26,34H,10,12,16H2,1H3,(H,31,35)/t20-,25+,26-/m1/s1 SMILES (mnx) [CH3:1][N:32]1[C:24]2=[C:21]([CH:13]=[C:17]([C:4]#[C:5][C:18]3=[CH:15][N:30]=[CH:11][CH:2]=[CH:3]3)[CH:6]=[CH:9]2)[C@H:26]2[C@H:20]([CH2:10][CH2:12][N:33]2[C:27](=[N:31][C:23]2=[C:22]([F:29])[CH:8]=[CH:7][C:19]([F:28])=[CH:14]2)[OH:35])[C@@H:25]1[CH2:16][OH:34]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0