1-[3-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[3-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[3-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidyl]-2-phenyl-ethanone CAS Name: 1-[3-[3-bromo-7-(3-pyridinylmethylamino)-5-pyrazolo[1,5-a]pyrimidinyl]-1-piperidinyl]-2-phenylethanone IUPAC Name: 1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-phenylethanone Traditional Name: 1-[3-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidino]-2-phenyl-ethanone Formula: C25H25BrN6O MolecularWeight: 505.4096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)NCC5=CN=CC=C5)Br

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)NCC5=CN=CC=C5)Br

InChI

InChI=1S/C25H25BrN6O/c26-21-16-29-32-23(28-15-19-8-4-10-27-14-19)13-22(30-25(21)32)20-9-5-11-31(17-20)24(33)12-18-6-2-1-3-7-18/h1-4,6-8,10,13-14,16,20,28H,5,9,11-12,15,17H2