cyclohexyl-[[3-(4-fluorophenyl)-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]azanium

Systemtic Name: cyclohexyl-[[3-(4-fluorophenyl)-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]azanium Openeye Name: cyclohexyl-[[3-(4-fluorophenyl)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]ammonium CAS Name: cyclohexyl-[[3-(4-fluorophenyl)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]ammonium IUPAC Name: cyclohexyl-[[3-(4-fluorophenyl)-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]azanium Traditional Name: cyclohexyl-[[3-(4-fluorophenyl)-6-keto-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]ammonium Formula: C25H26FN4O+ MolecularWeight: 417.498543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]CC2=CC3=C(NN(C3=NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)[NH2+]CC2=CC3=C(NN(C3=NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H25FN4O/c26-19-13-11-17(12-14-19)23-22-15-18(16-27-20-7-3-1-4-8-20)25(31)28-24(22)30(29-23)21-9-5-2-6-10-21/h2,5-6,9-15,20,27,29H,1,3-4,7-8,16H2/p+1