1-[6-(2-chlorophenyl)-2-[(5-fluoranyl-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one

Systemtic Name: 1-[6-(2-chlorophenyl)-2-[(5-fluoranyl-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one Openeye Name: 1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one CAS Name: 1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]-4-pyrimidinyl]-3-piperidinone IUPAC Name: 1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]piperidin-3-one Traditional Name: 1-[6-(2-chlorophenyl)-2-[(5-fluoro-1H-indazol-3-yl)amino]pyrimidin-4-yl]-3-piperidone Formula: C22H18ClFN6O MolecularWeight: 436.869323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CN(C1)C2=NC(=NC(=C2)C3=CC=CC=C3Cl)NC4=NNC5=C4C=C(C=C5)F

Isomeric SMILES

C1CC(=O)CN(C1)C2=NC(=NC(=C2)C3=CC=CC=C3Cl)NC4=NNC5=C4C=C(C=C5)F

InChI

InChI=1S/C22H18ClFN6O/c23-17-6-2-1-5-15(17)19-11-20(30-9-3-4-14(31)12-30)26-22(25-19)27-21-16-10-13(24)7-8-18(16)28-29-21/h1-2,5-8,10-11H,3-4,9,12H2,(H2,25,26,27,28,29)