2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C236H197F14N33O45S7 — CID 160562107

IUPAC2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESC=C1C=CC(c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CO5)cc3c2C(=O)NC)=CN1OC(F)F.CCC(=O)c1c(-c2ccc(C(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CCC(=O)c1c(-c2ccc(OCC(C)(F)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CNC(=O)c1c(-c2ccc(OC(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CNC(=O)c1c(-c2ccc(OC(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3[C@H](CO)O4)cc12
InChIInChI=1S/C36H31F3N4O7S.C35H30F2N4O6S.C34H29F2N5O7S.C33H26F3N5O6S.C33H27F2N5O6S.C33H28FN5O7S.C32H26FN5O6S/c1-5-28(45)33-22-13-21(24-10-11-29-34(41-24)27-14-20-23(37)7-6-8-25(20)43(27)32(17-44)49-29)26(42(3)51(4,46)47)15-30(22)50-35(33)19-9-12-31(40-16-19)48-18-36(2,38)39;1-5-29(43)33-22-13-21(27(40(3)48(4,44)45)15-31(22)47-35(33)19-9-10-24(18(2)36)38-16-19)25-11-12-30-34(39-25)28-14-20-23(37)7-6-8-26(20)41(28)32(17-42)46-30;1-17(35)46-29-11-8-18(15-38-29)33-31(34(43)37-2)21-12-20(25(14-28(21)48-33)40(3)49(4,44)45)23-9-10-27-32(39-23)26-13-19-22(36)6-5-7-24(19)41(26)30(16-42)47-27;1-17-8-9-18(15-41(17)47-33(35)36)31-29(32(42)37-2)21-12-20(25(14-28(21)46-31)39(3)48(4,43)44)23-10-11-27-30(38-23)26-13-19-22(34)6-5-7-24(19)40(26)16-45-27;1-17(34)45-29-11-8-18(15-37-29)32-30(33(41)36-2)21-12-20(25(14-28(21)46-32)39(3)47(4,42)43)23-9-10-27-31(38-23)26-13-19-22(35)6-5-7-24(19)40(26)16-44-27;1-35-33(41)30-20-12-19(24(38(2)47(4,42)43)14-27(20)46-32(30)17-8-11-28(44-3)36-15-17)22-9-10-26-31(37-22)25-13-18-21(34)6-5-7-23(18)39(25)29(16-40)45-26;1-34-32(39)29-20-12-19(22-9-10-26-30(36-22)25-13-18-21(33)6-5-7-23(18)38(25)16-43-26)24(37(2)45(4,40)41)14-27(20)44-31(29)17-8-11-28(42-3)35-15-17/h6-16,32,44H,5,17-18H2,1-4H3;6-16,18,32,42H,5,17H2,1-4H3;5-15,17,30,42H,16H2,1-4H3,(H,37,43);5-15,33H,1,16H2,2-4H3,(H,37,42);5-15,17H,16H2,1-4H3,(H,36,41);5-15,29,40H,16H2,1-4H3,(H,35,41);5-15H,16H2,1-4H3,(H,34,39)/t;;;;;29-;/m.....0./s1
InChIKeyQZLKBAOMMANBNA-AMKFZQKESA-N
MW4705.80 g/mol
LogP42.85
Rot. Bonds53

About 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 160562107) has the molecular formula C236H197F14N33O45S7 and a molecular weight of 4705.80 g/mol. Its IUPAC name is 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID160562107
Molecular FormulaC236H197F14N33O45S7
Molecular Weight4705.80 g/mol
Exact Mass4702.20
IUPAC Name2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESC=C1C=CC(c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CO5)cc3c2C(=O)NC)=CN1OC(F)F.CCC(=O)c1c(-c2ccc(C(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CCC(=O)c1c(-c2ccc(OCC(C)(F)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CNC(=O)c1c(-c2ccc(OC(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CNC(=O)c1c(-c2ccc(OC(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3[C@H](CO)O4)cc12
InChIInChI=1S/C36H31F3N4O7S.C35H30F2N4O6S.C34H29F2N5O7S.C33H26F3N5O6S.C33H27F2N5O6S.C33H28FN5O7S.C32H26FN5O6S/c1-5-28(45)33-22-13-21(24-10-11-29-34(41-24)27-14-20-23(37)7-6-8-25(20)43(27)32(17-44)49-29)26(42(3)51(4,46)47)15-30(22)50-35(33)19-9-12-31(40-16-19)48-18-36(2,38)39;1-5-29(43)33-22-13-21(27(40(3)48(4,44)45)15-31(22)47-35(33)19-9-10-24(18(2)36)38-16-19)25-11-12-30-34(39-25)28-14-20-23(37)7-6-8-26(20)41(28)32(17-42)46-30;1-17(35)46-29-11-8-18(15-38-29)33-31(34(43)37-2)21-12-20(25(14-28(21)48-33)40(3)49(4,44)45)23-9-10-27-32(39-23)26-13-19-22(36)6-5-7-24(19)41(26)30(16-42)47-27;1-17-8-9-18(15-41(17)47-33(35)36)31-29(32(42)37-2)21-12-20(25(14-28(21)46-31)39(3)48(4,43)44)23-10-11-27-30(38-23)26-13-19-22(34)6-5-7-24(19)40(26)16-45-27;1-17(34)45-29-11-8-18(15-37-29)32-30(33(41)36-2)21-12-20(25(14-28(21)46-32)39(3)47(4,42)43)23-9-10-27-31(38-23)26-13-19-22(35)6-5-7-24(19)40(26)16-44-27;1-35-33(41)30-20-12-19(24(38(2)47(4,42)43)14-27(20)46-32(30)17-8-11-28(44-3)36-15-17)22-9-10-26-31(37-22)25-13-18-21(34)6-5-7-23(18)39(25)29(16-40)45-26;1-34-32(39)29-20-12-19(22-9-10-26-30(36-22)25-13-18-21(33)6-5-7-23(18)38(25)16-43-26)24(37(2)45(4,40)41)14-27(20)44-31(29)17-8-11-28(42-3)35-15-17/h6-16,32,44H,5,17-18H2,1-4H3;6-16,18,32,42H,5,17H2,1-4H3;5-15,17,30,42H,16H2,1-4H3,(H,37,43);5-15,33H,1,16H2,2-4H3,(H,37,42);5-15,17H,16H2,1-4H3,(H,36,41);5-15,29,40H,16H2,1-4H3,(H,35,41);5-15H,16H2,1-4H3,(H,34,39)/t;;;;;29-;/m.....0./s1
InChIKeyQZLKBAOMMANBNA-AMKFZQKESA-N
XLogP42.85
TPSA939.51 Ų
H-Bond Donors9
H-Bond Acceptors66
Rotatable Bonds53
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004705.80
LogP ≤ 542.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1066

Analyze 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 160562107) is 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is C=C1C=CC(c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CO5)cc3c2C(=O)NC)=CN1OC(F)F.CCC(=O)c1c(-c2ccc(C(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CCC(=O)c1c(-c2ccc(OCC(C)(F)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CNC(=O)c1c(-c2ccc(OC(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)O4)cc12.CNC(=O)c1c(-c2ccc(OC(C)F)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(OC)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3[C@H](CO)O4)cc12.
What is the InChIKey of 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is QZLKBAOMMANBNA-AMKFZQKESA-N. The full InChI is InChI=1S/C36H31F3N4O7S.C35H30F2N4O6S.C34H29F2N5O7S.C33H26F3N5O6S.C33H27F2N5O6S.C33H28FN5O7S.C32H26FN5O6S/c1-5-28(45)33-22-13-21(24-10-11-29-34(41-24)27-14-20-23(37)7-6-8-25(20)43(27)32(17-44)49-29)26(42(3)51(4,46)47)15-30(22)50-35(33)19-9-12-31(40-16-19)48-18-36(2,38)39;1-5-29(43)33-22-13-21(27(40(3)48(4,44)45)15-31(22)47-35(33)19-9-10-24(18(2)36)38-16-19)25-11-12-30-34(39-25)28-14-20-23(37)7-6-8-26(20)41(28)32(17-42)46-30;1-17(35)46-29-11-8-18(15-38-29)33-31(34(43)37-2)21-12-20(25(14-28(21)48-33)40(3)49(4,44)45)23-9-10-27-32(39-23)26-13-19-22(36)6-5-7-24(19)41(26)30(16-42)47-27;1-17-8-9-18(15-41(17)47-33(35)36)31-29(32(42)37-2)21-12-20(25(14-28(21)46-31)39(3)48(4,43)44)23-10-11-27-30(38-23)26-13-19-22(34)6-5-7-24(19)40(26)16-45-27;1-17(34)45-29-11-8-18(15-37-29)32-30(33(41)36-2)21-12-20(25(14-28(21)46-32)39(3)47(4,42)43)23-9-10-27-31(38-23)26-13-19-22(35)6-5-7-24(19)40(26)16-44-27;1-35-33(41)30-20-12-19(24(38(2)47(4,42)43)14-27(20)46-32(30)17-8-11-28(44-3)36-15-17)22-9-10-26-31(37-22)25-13-18-21(34)6-5-7-23(18)39(25)29(16-40)45-26;1-34-32(39)29-20-12-19(22-9-10-26-30(36-22)25-13-18-21(33)6-5-7-23(18)38(25)16-43-26)24(37(2)45(4,40)41)14-27(20)44-31(29)17-8-11-28(42-3)35-15-17/h6-16,32,44H,5,17-18H2,1-4H3;6-16,18,32,42H,5,17H2,1-4H3;5-15,17,30,42H,16H2,1-4H3,(H,37,43);5-15,33H,1,16H2,2-4H3,(H,37,42);5-15,17H,16H2,1-4H3,(H,36,41);5-15,29,40H,16H2,1-4H3,(H,35,41);5-15H,16H2,1-4H3,(H,34,39)/t;;;;;29-;/m.....0./s1.
What are the key properties of 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 4705.80 g/mol, XLogP of 42.85, 53 rotatable bonds, 9 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethoxy)-6-methylidene-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(2,2-difluoropropoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-[6-(1-fluoroethoxy)-3-pyridinyl]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[6-(1-fluoroethyl)-3-pyridinyl]-5-[15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[(9S)-15-fluoro-9-(hydroxymethyl)-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl]-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 160562107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).