1-[4-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-1-yl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-1-yl-ethanone Openeye Name: 1-[4-(4-chloro-2-fluoro-5-methoxy-phenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-1-yl-ethanone CAS Name: 1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-piperazinyl]-2-(1-pyrazolo[3,4-b]pyridinyl)ethanone IUPAC Name: 1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-1-ylethanone Traditional Name: 1-[4-(4-chloro-2-fluoro-5-methoxy-phenyl)piperazino]-2-pyrazolo[3,4-b]pyridin-1-yl-ethanone Formula: C19H19ClFN5O2 MolecularWeight: 403.837863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=N4)C=N3)F)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)N2CCN(CC2)C(=O)CN3C4=C(C=CC=N4)C=N3)F)Cl

InChI

InChI=1S/C19H19ClFN5O2/c1-28-17-10-16(15(21)9-14(17)20)24-5-7-25(8-6-24)18(27)12-26-19-13(11-23-26)3-2-4-22-19/h2-4,9-11H,5-8,12H2,1H3