Molecule ID: 124202390

IUPAC Name: 1-amino-6-(4-methylpiperazin-1-yl)-4-oxoimidazo[1,2-a]indole-2-carbonitrile

Description: The molecule is an imidazoindole that is 9H-imidazo[1,2-a]indole which is substituted at positions 2, 3, 7, and 9 by cyano, amino, 4-methylpiperazin-1-yl, and oxo groups, respectively. It is an imidazoindole, a nitrile, a primary amino compound, a N-arylpiperazine and a N-methylpiperazine.

SMILES: CN1CCN(c2ccc3c(c2)C(=O)c2nc(C#N)c(N)n2-3)CC1

SELFIES: [C][N][C][C][N][Branch2][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Ring1][Branch2][Ring1][=N][C][C][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C16H16N6O/c1-20-4-6-21(7-5-20)10-2-3-13-11(8-10)14(23)16-19-12(9-17)15(18)22(13)16/h2-3,8H,4-7,18H2,1H3

Molecular Properties:
- Polar Surface Area: 91.2 Ų
- LogP: 1.7