4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

Systemtic Name: 4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one Openeye Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one CAS Name: 4-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one IUPAC Name: 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one Traditional Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one Formula: C21H22FN5O3 MolecularWeight: 411.429483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F)C(=O)NN2C

Isomeric SMILES

CC1=NC2=C(C(=C1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F)C(=O)NN2C

InChI

InChI=1S/C21H22FN5O3/c1-12-10-15(18-19(23-12)25(3)24-20(18)29)21(30)27-8-6-26(7-9-27)17-5-4-14(13(2)28)11-16(17)22/h4-5,10-11H,6-9H2,1-3H3,(H,24,29)