Molecule ID: 139036271

IUPAC Name: 5-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-propan-2-yl-3H-indol-2-one

Description: The molecule is a member of the class of pyrimidines that is pyrimidine which has been substituted at positions 2, 4, and 5 by (1-isopropyl-2-oxo-2,3-dihydro-1H-indol-5-yl)amino, [3-(methylsulfonyl)benzyl]amino, and trifluoromethyl groups, respectively. It is a sulfone, a secondary amino compound, a member of pyrimidines, a member of oxindoles and a member of (trifluoromethyl)benzenes.

SMILES: CC(C)N1C(=O)Cc2cc(Nc3ncc(C(F)(F)F)c(=NCc4cccc(S(C)(=O)=O)c4)[nH]3)ccc21

SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch2][Ring2][N][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Branch2][Ring1][Branch1][=N][C][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][NH1][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=N][Ring2][Ring1][P]

InChI: InChI=1S/C24H24F3N5O3S/c1-14(2)32-20-8-7-17(10-16(20)11-21(32)33)30-23-29-13-19(24(25,26)27)22(31-23)28-12-15-5-4-6-18(9-15)36(3,34)35/h4-10,13-14H,11-12H2,1-3H3,(H2,28,29,30,31)

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 3.8