Molecule ID: 137333889

IUPAC Name: 1-[3-[(E)-N-(dimethylamino)-C-ethylcarbonimidoyl]-2-hydroxy-1H-indol-5-yl]ethanone

Description: The molecule is a member of the class of oxindoles that is 5-acetyl-3-methylidene-1,3-dihydro-2H-indol-2-one in which one of the hydrogens of the methylidene group is substituted by a 2,2-dimethylhydrazinyl group and the other hydrogen is substituted by an ethyl group. It is a DYRK1B kinase inhibitor. It has a role as an EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor. It is a member of oxindoles, an aromatic ketone, a methyl ketone and a member of hydrazines.

SMILES: CC/C(=N\N(C)C)c1c(O)[nH]c2ccc(C(C)=O)cc12

SELFIES: [C][C][/C][=Branch1][#Branch1][=N][\N][Branch1][C][C][C][C][=C][Branch1][C][O][NH1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=N][Ring1][=Branch2]

InChI: InChI=1S/C15H19N3O2/c1-5-12(17-18(3)4)14-11-8-10(9(2)19)6-7-13(11)16-15(14)20/h6-8,16,20H,5H2,1-4H3/b17-12+

Molecular Properties:
- Polar Surface Area: 68.7 Ų
- LogP: 2.6