N-(5-bromanylpyridin-2-yl)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)nipecotamide Formula: C22H20BrN7O MolecularWeight: 478.3445

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)NC5=NC=C(C=C5)Br

Isomeric SMILES

C1CC(CN(C1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)NC5=NC=C(C=C5)Br

InChI

InChI=1S/C22H20BrN7O/c23-16-8-9-19(24-11-16)28-22(31)15-5-4-10-29(13-15)20-18-12-27-30(21(18)26-14-25-20)17-6-2-1-3-7-17/h1-3,6-9,11-12,14-15H,4-5,10,13H2,(H,24,28,31)