4-ethyl-6-[5-(6-piperazin-1-ylpyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-ethyl-6-[5-(6-piperazin-1-ylpyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine Openeye Name: 4-ethyl-6-[5-(6-piperazin-1-yl-3-pyridyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine CAS Name: 4-ethyl-6-[5-[6-(1-piperazinyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyrimidinamine IUPAC Name: 4-ethyl-6-[5-(6-piperazin-1-ylpyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine Traditional Name: [4-ethyl-6-[5-(6-piperazino-3-pyridyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amine Formula: C22H24N8 MolecularWeight: 400.47956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=C1)C2=CNC3=NC=C(C=C23)C4=CN=C(C=C4)N5CCNCC5)N

Isomeric SMILES

CCC1=NC(=NC(=C1)C2=CNC3=NC=C(C=C23)C4=CN=C(C=C4)N5CCNCC5)N

InChI

InChI=1S/C22H24N8/c1-2-16-10-19(29-22(23)28-16)18-13-27-21-17(18)9-15(12-26-21)14-3-4-20(25-11-14)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H2,23,28,29)