3-[6-(1,4-diazepan-1-yl)pyridin-2-yl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine

Systemtic Name: 3-[6-(1,4-diazepan-1-yl)pyridin-2-yl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine Openeye Name: 3-[6-(1,4-diazepan-1-yl)-2-pyridyl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine CAS Name: 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine IUPAC Name: 3-[6-(1,4-diazepan-1-yl)pyridin-2-yl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine Traditional Name: 3-[6-(1,4-diazepan-1-yl)-2-pyridyl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine Formula: C18H18N6 MolecularWeight: 318.37572

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(NN=C2N=C1)C3=NC(=CC=C3)N4CCCNCC4

Isomeric SMILES

C#CC1=CC2=C(NN=C2N=C1)C3=NC(=CC=C3)N4CCCNCC4

InChI

InChI=1S/C18H18N6/c1-2-13-11-14-17(22-23-18(14)20-12-13)15-5-3-6-16(21-15)24-9-4-7-19-8-10-24/h1,3,5-6,11-12,19H,4,7-10H2,(H,20,22,23)