methyl 1-[2-[2-(2-chlorophenyl)-6-[(5-fluoranyl-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-(2-chlorophenyl)-6-[(5-fluoranyl-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-(2-chlorophenyl)-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-(2-chlorophenyl)-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]-4-pyrimidinyl]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(2-chlorophenyl)-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-(2-chlorophenyl)-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]ethyl]isonipecotic acid methyl ester Formula: C25H25ClFN7O2 MolecularWeight: 509.963103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CCC2=CC(=NC(=N2)C3=CC=CC=C3Cl)NC4=C5C=C(C=NC5=NN4)F

Isomeric SMILES

COC(=O)C1CCN(CC1)CCC2=CC(=NC(=N2)C3=CC=CC=C3Cl)NC4=C5C=C(C=NC5=NN4)F

InChI

InChI=1S/C25H25ClFN7O2/c1-36-25(35)15-6-9-34(10-7-15)11-8-17-13-21(30-23(29-17)18-4-2-3-5-20(18)26)31-24-19-12-16(27)14-28-22(19)32-33-24/h2-5,12-15H,6-11H2,1H3,(H2,28,29,30,31,32,33)