2,6-bis(fluoranyl)-N-[3-[3-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide

Systemtic Name: 2,6-bis(fluoranyl)-N-[3-[3-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide Openeye Name: 2,6-difluoro-N-[3-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide CAS Name: 2,6-difluoro-N-[3-[3-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyridinyl]phenyl]benzamide IUPAC Name: 2,6-difluoro-N-[3-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide Traditional Name: 2,6-difluoro-N-[3-[3-[2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide Formula: C36H29F5N8O MolecularWeight: 684.660476

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=C(N5N=C4C6=CC(=CC=C6)NC(=O)C7=C(C=CC=C7F)F)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=C(N5N=C4C6=CC(=CC=C6)NC(=O)C7=C(C=CC=C7F)F)C(F)(F)F

InChI

InChI=1S/C36H29F5N8O/c1-47-17-19-48(20-18-47)25-13-11-23(12-14-25)44-35-42-16-15-28(45-35)32-29-9-4-10-30(36(39,40)41)49(29)46-33(32)22-5-2-6-24(21-22)43-34(50)31-26(37)7-3-8-27(31)38/h2-16,21H,17-20H2,1H3,(H,43,50)(H,42,44,45)