2-[6-[2-[2,3-bis(fluoranyl)phenyl]ethyl]-2-(2-methoxyethyl)-4-oxidanylidene-pyrazolo[3,4-b]pyridin-7-yl]-N-(1-ethylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide

Systemtic Name: 2-[6-[2-[2,3-bis(fluoranyl)phenyl]ethyl]-2-(2-methoxyethyl)-4-oxidanylidene-pyrazolo[3,4-b]pyridin-7-yl]-N-(1-ethylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide Openeye Name: 2-[6-[2-(2,3-difluorophenyl)ethyl]-2-(2-methoxyethyl)-4-oxo-pyrazolo[3,4-b]pyridin-7-yl]-N-(1-ethyl-4-piperidyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide CAS Name: 2-[6-[2-(2,3-difluorophenyl)ethyl]-2-(2-methoxyethyl)-4-oxo-7-pyrazolo[3,4-b]pyridinyl]-N-(1-ethyl-4-piperidinyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide IUPAC Name: 2-[6-[2-(2,3-difluorophenyl)ethyl]-2-(2-methoxyethyl)-4-oxopyrazolo[3,4-b]pyridin-7-yl]-N-(1-ethylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide Traditional Name: 2-[6-[2-(2,3-difluorophenyl)ethyl]-4-keto-2-(2-methoxyethyl)pyrazolo[3,4-b]pyridin-7-yl]-N-(1-ethyl-4-piperidyl)-N-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide Formula: C40H42F5N5O3 MolecularWeight: 735.785196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C(=CC(=O)C5=CN(N=C54)CCOC)CCC6=C(C(=CC=C6)F)F

Isomeric SMILES

CCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C(=CC(=O)C5=CN(N=C54)CCOC)CCC6=C(C(=CC=C6)F)F

InChI

InChI=1S/C40H42F5N5O3/c1-3-47-19-17-32(18-20-47)49(24-27-7-9-28(10-8-27)29-11-14-31(15-12-29)40(43,44)45)37(52)26-50-33(16-13-30-5-4-6-35(41)38(30)42)23-36(51)34-25-48(21-22-53-2)46-39(34)50/h4-12,14-15,23,25,32H,3,13,16-22,24,26H2,1-2H3