2-methyl-2-[3-(piperidin-4-ylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]propanenitrile

Systemtic Name: 2-methyl-2-[3-(piperidin-4-ylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]propanenitrile Openeye Name: 2-methyl-2-[3-(4-piperidylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]propanenitrile CAS Name: 2-methyl-2-[3-(4-piperidinylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]propanenitrile IUPAC Name: 2-methyl-2-[3-(piperidin-4-ylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]propanenitrile Traditional Name: 2-methyl-2-[3-(4-piperidylamino)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]propionitrile Formula: C21H24N6 MolecularWeight: 360.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)C2=C3C=NNC3=NC=C2)NC4CCNCC4

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)C2=C3C=NNC3=NC=C2)NC4CCNCC4

InChI

InChI=1S/C21H24N6/c1-21(2,13-22)15-9-14(18-5-8-24-20-19(18)12-25-27-20)10-17(11-15)26-16-3-6-23-7-4-16/h5,8-12,16,23,26H,3-4,6-7H2,1-2H3,(H,24,25,27)