5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C238H208F12N41O34PS8 — CID 158905190

IUPAC5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCCOP(=O)(Cc1nc2ccc(-c3cc4c(C(=O)NC)c(-c5ccc(C)cc5)oc4cc3N(C)S(C)(=O)=O)nc2c2cc3c(F)cccc3n12)OCC.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5ncn6c7cccc(F)c7cc6c5n4)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(CCN5CC(F)C5)n5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2F)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(CN5CC(F)(F)C5)n5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CC(C)(F)C2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CC(C)C2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CCC2(C)C)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12
InChIInChI=1S/C38H34F2N6O4S.C38H37FN5O7PS.C37H30F4N6O4S.C32H29FN6O5S.C31H26F2N6O5S.C31H27FN6O5S.C31H25FN6O4S2/c1-21-8-10-22(11-9-21)37-35(38(47)41-2)26-16-25(31(18-33(26)50-37)44(3)51(4,48)49)28-12-13-29-36(43-28)32-17-24-27(40)6-5-7-30(24)46(32)34(42-29)14-15-45-19-23(39)20-45;1-7-49-52(46,50-8-2)21-34-41-29-17-16-28(42-36(29)32-19-24-27(39)10-9-11-30(24)44(32)34)25-18-26-33(20-31(25)43(5)53(6,47)48)51-37(35(26)38(45)40-4)23-14-12-22(3)13-15-23;1-19-8-9-20(25(39)12-19)35-33(36(48)42-2)23-13-22(29(15-31(23)51-35)45(3)52(4,49)50)26-10-11-27-34(44-26)30-14-21-24(38)6-5-7-28(21)47(30)32(43-27)16-46-17-37(40,41)18-46;1-32(2)11-12-39(32)31(41)29-27(30(40)34-3)19-13-18(24(15-26(19)44-29)37(4)45(5,42)43)21-9-10-22-28(36-21)25-14-17-20(33)7-6-8-23(17)38(25)16-35-22;1-31(33)13-38(14-31)30(41)28-26(29(40)34-2)18-10-17(23(12-25(18)44-28)37(3)45(4,42)43)20-8-9-21-27(36-20)24-11-16-19(32)6-5-7-22(16)39(24)15-35-21;1-16-13-37(14-16)31(40)29-27(30(39)33-2)19-10-18(24(12-26(19)43-29)36(3)44(4,41)42)21-8-9-22-28(35-21)25-11-17-20(32)6-5-7-23(17)38(25)15-34-22;1-5-27-34-14-26(43-27)30-28(31(39)33-2)18-11-17(23(13-25(18)42-30)37(3)44(4,40)41)20-9-10-21-29(36-20)24-12-16-19(32)7-6-8-22(16)38(24)15-35-21/h5-13,16-18,23H,14-15,19-20H2,1-4H3,(H,41,47);9-20H,7-8,21H2,1-6H3,(H,40,45);5-15H,16-18H2,1-4H3,(H,42,48);6-10,13-16H,11-12H2,1-5H3,(H,34,40);5-12,15H,13-14H2,1-4H3,(H,34,40);5-12,15-16H,13-14H2,1-4H3,(H,33,39);6-15H,5H2,1-4H3,(H,33,39)
InChIKeyJFYMSPKWPLPLCG-UHFFFAOYSA-N
MW4702.02 g/mol
LogP41.47
Rot. Bonds47

About 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 158905190) has the molecular formula C238H208F12N41O34PS8 and a molecular weight of 4702.02 g/mol. Its IUPAC name is 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID158905190
Molecular FormulaC238H208F12N41O34PS8
Molecular Weight4702.02 g/mol
Exact Mass4698.31
IUPAC Name5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCCOP(=O)(Cc1nc2ccc(-c3cc4c(C(=O)NC)c(-c5ccc(C)cc5)oc4cc3N(C)S(C)(=O)=O)nc2c2cc3c(F)cccc3n12)OCC.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5ncn6c7cccc(F)c7cc6c5n4)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(CCN5CC(F)C5)n5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2F)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(CN5CC(F)(F)C5)n5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CC(C)(F)C2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CC(C)C2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CCC2(C)C)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12
InChIInChI=1S/C38H34F2N6O4S.C38H37FN5O7PS.C37H30F4N6O4S.C32H29FN6O5S.C31H26F2N6O5S.C31H27FN6O5S.C31H25FN6O4S2/c1-21-8-10-22(11-9-21)37-35(38(47)41-2)26-16-25(31(18-33(26)50-37)44(3)51(4,48)49)28-12-13-29-36(43-28)32-17-24-27(40)6-5-7-30(24)46(32)34(42-29)14-15-45-19-23(39)20-45;1-7-49-52(46,50-8-2)21-34-41-29-17-16-28(42-36(29)32-19-24-27(39)10-9-11-30(24)44(32)34)25-18-26-33(20-31(25)43(5)53(6,47)48)51-37(35(26)38(45)40-4)23-14-12-22(3)13-15-23;1-19-8-9-20(25(39)12-19)35-33(36(48)42-2)23-13-22(29(15-31(23)51-35)45(3)52(4,49)50)26-10-11-27-34(44-26)30-14-21-24(38)6-5-7-28(21)47(30)32(43-27)16-46-17-37(40,41)18-46;1-32(2)11-12-39(32)31(41)29-27(30(40)34-3)19-13-18(24(15-26(19)44-29)37(4)45(5,42)43)21-9-10-22-28(36-21)25-14-17-20(33)7-6-8-23(17)38(25)16-35-22;1-31(33)13-38(14-31)30(41)28-26(29(40)34-2)18-10-17(23(12-25(18)44-28)37(3)45(4,42)43)20-8-9-21-27(36-20)24-11-16-19(32)6-5-7-22(16)39(24)15-35-21;1-16-13-37(14-16)31(40)29-27(30(39)33-2)19-10-18(24(12-26(19)43-29)36(3)44(4,41)42)21-8-9-22-28(35-21)25-11-17-20(32)6-5-7-23(17)38(25)15-34-22;1-5-27-34-14-26(43-27)30-28(31(39)33-2)18-11-17(23(13-25(18)42-30)37(3)44(4,40)41)20-9-10-21-29(36-20)24-12-16-19(32)7-6-8-22(16)38(24)15-35-21/h5-13,16-18,23H,14-15,19-20H2,1-4H3,(H,41,47);9-20H,7-8,21H2,1-6H3,(H,40,45);5-15H,16-18H2,1-4H3,(H,42,48);6-10,13-16H,11-12H2,1-5H3,(H,34,40);5-12,15H,13-14H2,1-4H3,(H,34,40);5-12,15-16H,13-14H2,1-4H3,(H,33,39);6-15H,5H2,1-4H3,(H,33,39)
InChIKeyJFYMSPKWPLPLCG-UHFFFAOYSA-N
XLogP41.47
TPSA884.50 Ų
H-Bond Donors7
H-Bond Acceptors59
Rotatable Bonds47
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004702.02
LogP ≤ 541.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1059

Analyze 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 158905190) is 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CCOP(=O)(Cc1nc2ccc(-c3cc4c(C(=O)NC)c(-c5ccc(C)cc5)oc4cc3N(C)S(C)(=O)=O)nc2c2cc3c(F)cccc3n12)OCC.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5ncn6c7cccc(F)c7cc6c5n4)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(CCN5CC(F)C5)n5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2F)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(CN5CC(F)(F)C5)n5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CC(C)(F)C2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CC(C)C2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12.CNC(=O)c1c(C(=O)N2CCC2(C)C)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn5c6cccc(F)c6cc5c4n3)cc12.
What is the InChIKey of 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is JFYMSPKWPLPLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34F2N6O4S.C38H37FN5O7PS.C37H30F4N6O4S.C32H29FN6O5S.C31H26F2N6O5S.C31H27FN6O5S.C31H25FN6O4S2/c1-21-8-10-22(11-9-21)37-35(38(47)41-2)26-16-25(31(18-33(26)50-37)44(3)51(4,48)49)28-12-13-29-36(43-28)32-17-24-27(40)6-5-7-30(24)46(32)34(42-29)14-15-45-19-23(39)20-45;1-7-49-52(46,50-8-2)21-34-41-29-17-16-28(42-36(29)32-19-24-27(39)10-9-11-30(24)44(32)34)25-18-26-33(20-31(25)43(5)53(6,47)48)51-37(35(26)38(45)40-4)23-14-12-22(3)13-15-23;1-19-8-9-20(25(39)12-19)35-33(36(48)42-2)23-13-22(29(15-31(23)51-35)45(3)52(4,49)50)26-10-11-27-34(44-26)30-14-21-24(38)6-5-7-28(21)47(30)32(43-27)16-46-17-37(40,41)18-46;1-32(2)11-12-39(32)31(41)29-27(30(40)34-3)19-13-18(24(15-26(19)44-29)37(4)45(5,42)43)21-9-10-22-28(36-21)25-14-17-20(33)7-6-8-23(17)38(25)16-35-22;1-31(33)13-38(14-31)30(41)28-26(29(40)34-2)18-10-17(23(12-25(18)44-28)37(3)45(4,42)43)20-8-9-21-27(36-20)24-11-16-19(32)6-5-7-22(16)39(24)15-35-21;1-16-13-37(14-16)31(40)29-27(30(39)33-2)19-10-18(24(12-26(19)43-29)36(3)44(4,41)42)21-8-9-22-28(35-21)25-11-17-20(32)6-5-7-23(17)38(25)15-34-22;1-5-27-34-14-26(43-27)30-28(31(39)33-2)18-11-17(23(13-25(18)42-30)37(3)44(4,40)41)20-9-10-21-29(36-20)24-12-16-19(32)7-6-8-22(16)38(24)15-35-21/h5-13,16-18,23H,14-15,19-20H2,1-4H3,(H,41,47);9-20H,7-8,21H2,1-6H3,(H,40,45);5-15H,16-18H2,1-4H3,(H,42,48);6-10,13-16H,11-12H2,1-5H3,(H,34,40);5-12,15H,13-14H2,1-4H3,(H,34,40);5-12,15-16H,13-14H2,1-4H3,(H,33,39);6-15H,5H2,1-4H3,(H,33,39).
What are the key properties of 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 4702.02 g/mol, XLogP of 41.47, 47 rotatable bonds, 7 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(diethoxyphosphorylmethyl)-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-[(3,3-difluoroazetidin-1-yl)methyl]-15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2,2-dimethylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(2-ethyl-1,3-thiazol-5-yl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[15-fluoro-9-[2-(3-fluoroazetidin-1-yl)ethyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;2-(3-fluoro-3-methylazetidine-1-carbonyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(3-methylazetidine-1-carbonyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158905190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).