N-[[5-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]propan-1-amine

Systemtic Name: N-[[5-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]propan-1-amine Openeye Name: N-[[5-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-3-pyridyl]methyl]propan-1-amine CAS Name: N-[[5-[(3E)-3-[5-(4-methyl-1-piperazinyl)-2-benzimidazolylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-propanamine IUPAC Name: N-[[5-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]propan-1-amine Traditional Name: [5-[(3E)-3-[5-(4-methylpiperazino)benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-3-pyridyl]methyl-propyl-amine Formula: C27H31N9 MolecularWeight: 481.59534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN=CC(=C1)C2=CC3=C(NNC3=C4N=C5C=CC(=CC5=N4)N6CCN(CC6)C)N=C2

Isomeric SMILES

CCCNCC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=CC(=CC5=N4)N6CCN(CC6)C)N=C2

InChI

InChI=1S/C27H31N9/c1-3-6-28-14-18-11-19(16-29-15-18)20-12-22-25(33-34-26(22)30-17-20)27-31-23-5-4-21(13-24(23)32-27)36-9-7-35(2)8-10-36/h4-5,11-13,15-17,28,33H,3,6-10,14H2,1-2H3,(H,30,34)/b27-25+