N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

C243H215F7N30O31S8 — CID 160719601

IUPACN-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
SMILESCCC(=O)c1c(-c2ccc(C)cc2)nn2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)C(C)Cn3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)C4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CS(C)(=O)=O)C4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C4CO)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C36H33FN4O6S2.C36H33FN4O4S.C35H31FN4O5S.C35H31FN4O4S.C34H30FN5O3S.C34H29FN4O5S.C33H28FN5O4S/c1-20-9-11-21(12-10-20)35-33(36(42)38-2)26-16-25(30(18-32(26)47-35)40(3)49(5,45)46)28-14-13-22-15-23(19-48(4,43)44)41-29-8-6-7-27(37)24(29)17-31(41)34(22)39-28;1-20-10-12-21(13-11-20)34-33(35(42)38-4)26-14-25(30(17-32(26)45-34)40(5)46(6,43)44)28-15-23-22(19-39-28)18-36(2,3)41-29-9-7-8-27(37)24(29)16-31(23)41;1-19-8-10-20(11-9-19)34-32(35(42)37-2)25-15-24(29(17-31(25)45-34)39(3)46(4,43)44)27-13-12-21-14-22(18-41)40-28-7-5-6-26(36)23(28)16-30(40)33(21)38-27;1-19-9-11-21(12-10-19)34-33(35(41)37-3)25-13-24(30(16-32(25)44-34)39(4)45(5,42)43)28-14-22-26(17-38-28)20(2)18-40-29-8-6-7-27(36)23(29)15-31(22)40;1-5-31(41)32-28-18-24(30(38(3)44(4,42)43)19-40(28)37-34(32)21-11-9-20(2)10-12-21)26-14-13-22-15-16-39-27-8-6-7-25(35)23(27)17-29(39)33(22)36-26;1-18-8-10-19(11-9-18)33-31(34(41)36-2)23-14-22(27(16-30(23)44-33)38(3)45(4,42)43)25-13-12-20-29(17-40)39-26-7-5-6-24(35)21(26)15-28(39)32(20)37-25;1-18-8-10-19(11-9-18)31-29(33(40)35-2)23-14-22(26(16-28(23)43-31)38(3)44(4,41)42)32-36-17-20-12-13-39-25-7-5-6-24(34)21(25)15-27(39)30(20)37-32/h6-14,16-18,23H,15,19H2,1-5H3,(H,38,42);7-17,19H,18H2,1-6H3,(H,38,42);5-13,15-17,22,41H,14,18H2,1-4H3,(H,37,42);6-17,20H,18H2,1-5H3,(H,37,41);6-14,17-19H,5,15-16H2,1-4H3;5-16,29,40H,17H2,1-4H3,(H,36,41);5-11,14-17H,12-13H2,1-4H3,(H,35,40)
InChIKeyRSXTUSCIVCZAOB-UHFFFAOYSA-N
MW4441.09 g/mol
LogP45.08
Rot. Bonds40

About N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 160719601) has the molecular formula C243H215F7N30O31S8 and a molecular weight of 4441.09 g/mol. Its IUPAC name is N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
PubChem CID160719601
Molecular FormulaC243H215F7N30O31S8
Molecular Weight4441.09 g/mol
Exact Mass4437.38
IUPAC NameN-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
SMILESCCC(=O)c1c(-c2ccc(C)cc2)nn2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)C(C)Cn3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)C4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CS(C)(=O)=O)C4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C4CO)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C36H33FN4O6S2.C36H33FN4O4S.C35H31FN4O5S.C35H31FN4O4S.C34H30FN5O3S.C34H29FN4O5S.C33H28FN5O4S/c1-20-9-11-21(12-10-20)35-33(36(42)38-2)26-16-25(30(18-32(26)47-35)40(3)49(5,45)46)28-14-13-22-15-23(19-48(4,43)44)41-29-8-6-7-27(37)24(29)17-31(41)34(22)39-28;1-20-10-12-21(13-11-20)34-33(35(42)38-4)26-14-25(30(17-32(26)45-34)40(5)46(6,43)44)28-15-23-22(19-39-28)18-36(2,3)41-29-9-7-8-27(37)24(29)16-31(23)41;1-19-8-10-20(11-9-19)34-32(35(42)37-2)25-15-24(29(17-31(25)45-34)39(3)46(4,43)44)27-13-12-21-14-22(18-41)40-28-7-5-6-26(36)23(28)16-30(40)33(21)38-27;1-19-9-11-21(12-10-19)34-33(35(41)37-3)25-13-24(30(16-32(25)44-34)39(4)45(5,42)43)28-14-22-26(17-38-28)20(2)18-40-29-8-6-7-27(36)23(29)15-31(22)40;1-5-31(41)32-28-18-24(30(38(3)44(4,42)43)19-40(28)37-34(32)21-11-9-20(2)10-12-21)26-14-13-22-15-16-39-27-8-6-7-25(35)23(27)17-29(39)33(22)36-26;1-18-8-10-19(11-9-18)33-31(34(41)36-2)23-14-22(27(16-30(23)44-33)38(3)45(4,42)43)25-13-12-20-29(17-40)39-26-7-5-6-24(35)21(26)15-28(39)32(20)37-25;1-18-8-10-19(11-9-18)31-29(33(40)35-2)23-14-22(26(16-28(23)43-31)38(3)44(4,41)42)32-36-17-20-12-13-39-25-7-5-6-24(34)21(25)15-27(39)30(20)37-32/h6-14,16-18,23H,15,19H2,1-5H3,(H,38,42);7-17,19H,18H2,1-6H3,(H,38,42);5-13,15-17,22,41H,14,18H2,1-4H3,(H,37,42);6-17,20H,18H2,1-5H3,(H,37,41);6-14,17-19H,5,15-16H2,1-4H3;5-16,29,40H,17H2,1-4H3,(H,36,41);5-11,14-17H,12-13H2,1-4H3,(H,35,40)
InChIKeyRSXTUSCIVCZAOB-UHFFFAOYSA-N
XLogP45.08
TPSA761.70 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds40
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004441.09
LogP ≤ 545.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Analyze N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide with MolForge

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What is the IUPAC name of N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 160719601) is N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is CCC(=O)c1c(-c2ccc(C)cc2)nn2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)C(C)Cn3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CO)C4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CS(C)(=O)=O)C4)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C4CO)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.
What is the InChIKey of N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The InChIKey is RSXTUSCIVCZAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33FN4O6S2.C36H33FN4O4S.C35H31FN4O5S.C35H31FN4O4S.C34H30FN5O3S.C34H29FN4O5S.C33H28FN5O4S/c1-20-9-11-21(12-10-20)35-33(36(42)38-2)26-16-25(30(18-32(26)47-35)40(3)49(5,45)46)28-14-13-22-15-23(19-48(4,43)44)41-29-8-6-7-27(37)24(29)17-31(41)34(22)39-28;1-20-10-12-21(13-11-20)34-33(35(42)38-4)26-14-25(30(17-32(26)45-34)40(5)46(6,43)44)28-15-23-22(19-39-28)18-36(2,3)41-29-9-7-8-27(37)24(29)16-31(23)41;1-19-8-10-20(11-9-19)34-32(35(42)37-2)25-15-24(29(17-31(25)45-34)39(3)46(4,43)44)27-13-12-21-14-22(18-41)40-28-7-5-6-26(36)23(28)16-30(40)33(21)38-27;1-19-9-11-21(12-10-19)34-33(35(41)37-3)25-13-24(30(16-32(25)44-34)39(4)45(5,42)43)28-14-22-26(17-38-28)20(2)18-40-29-8-6-7-27(36)23(29)15-31(22)40;1-5-31(41)32-28-18-24(30(38(3)44(4,42)43)19-40(28)37-34(32)21-11-9-20(2)10-12-21)26-14-13-22-15-16-39-27-8-6-7-25(35)23(27)17-29(39)33(22)36-26;1-18-8-10-19(11-9-18)33-31(34(41)36-2)23-14-22(27(16-30(23)44-33)38(3)45(4,42)43)25-13-12-20-29(17-40)39-26-7-5-6-24(35)21(26)15-28(39)32(20)37-25;1-18-8-10-19(11-9-18)31-29(33(40)35-2)23-14-22(26(16-28(23)43-31)38(3)44(4,41)42)32-36-17-20-12-13-39-25-7-5-6-24(34)21(25)15-27(39)30(20)37-32/h6-14,16-18,23H,15,19H2,1-5H3,(H,38,42);7-17,19H,18H2,1-6H3,(H,38,42);5-13,15-17,22,41H,14,18H2,1-4H3,(H,37,42);6-17,20H,18H2,1-5H3,(H,37,41);6-14,17-19H,5,15-16H2,1-4H3;5-16,29,40H,17H2,1-4H3,(H,36,41);5-11,14-17H,12-13H2,1-4H3,(H,35,40).
What are the key properties of N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 4441.09 g/mol, XLogP of 45.08, 40 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-6,6-dimethyl-5H-indolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-fluoro-16-(hydroxymethyl)-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(hydroxymethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[11-fluoro-6-(methylsulfonylmethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 160719601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).