3-[4-azanyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]propanenitrile

Systemtic Name: 3-[4-azanyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]propanenitrile Openeye Name: 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]propanenitrile CAS Name: 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[3,4-b]pyridinyl]-5-pyrimidinyl]propanenitrile IUPAC Name: 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]propanenitrile Traditional Name: 3-[4-amino-2-[1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]propionitrile Formula: C20H16FN7 MolecularWeight: 373.386343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C4=NC=C(C(=N4)N)CCC#N)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C4=NC=C(C(=N4)N)CCC#N)F

InChI

InChI=1S/C20H16FN7/c21-16-8-2-1-5-14(16)12-28-20-15(7-4-10-24-20)17(27-28)19-25-11-13(6-3-9-22)18(23)26-19/h1-2,4-5,7-8,10-11H,3,6,12H2,(H2,23,25,26)