Molecule ID: 11512578

IUPAC Name: (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

Description: The molecule is an azaspiro compound resulting from the formal fusion of position 3 of 6-chloro-oxindole with position 3 of (2R,3SS5S)-3-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]pyrrolidine-2-carboxamide. It is a potent inhibitor of the MDM2-p53 interaction. It has a role as an apoptosis inducer. It is an azaspiro compound, a member of morpholines, a member of oxindoles, a member of pyrrolidines, a member of monochlorobenzenes, a member of monofluorobenzenes and a secondary carboxamide.

SMILES: CC(C)(C)C[C@H]1N[C@@H](C(O)=NCCN2CCOCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(O)=Nc1cc(Cl)ccc12

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C@H1][N][C@@H1][Branch1][S][C][Branch1][C][O][=N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C@H1][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C@@][Ring2][Ring1][Branch2][C][Branch1][C][O][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O]

InChI: InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m1/s1

Molecular Properties:
- Polar Surface Area: 82.7 Ų
- LogP: 4.3