2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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

C231H196F8N30O28S10 — CID 158094278

IUPAC2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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
SMILESCCC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CCn3c-4cc4c(F)cccc43)cc12.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CC5)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CCn3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2cccs2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2cnc(C)s2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C35H31FN4O4S.C34H28F2N4O4S.2C34H29FN4O4S.C32H28FN5O4S2.C31H26FN5O4S2.C31H25FN4O4S2/c1-19-9-11-21(12-10-19)34-33(35(41)37-3)26-14-25(30(17-32(26)44-34)39(4)45(5,42)43)28-15-23-22(18-38-28)13-20(2)40-29-8-6-7-27(36)24(29)16-31(23)40;1-18-12-20-17-38-27(14-22(20)30-15-23-26(36)6-5-7-28(23)40(18)30)24-13-25-31(16-29(24)39(3)45(4,42)43)44-33(32(25)34(41)37-2)19-8-10-21(35)11-9-19;1-19-8-10-20(11-9-19)33-32(34(40)36-2)25-14-24(29(17-31(25)43-33)38(3)44(4,41)42)27-15-22-21(18-37-27)12-13-39-28-7-5-6-26(35)23(28)16-30(22)39;1-5-31(40)33-25-13-24(29(38(3)44(4,41)42)16-32(25)43-34(33)21-10-9-19(2)36-18-21)27-14-22-20(17-37-27)11-12-39-28-8-6-7-26(35)23(28)15-30(22)39;1-5-28-35-16-27(43-28)31-29(32(39)34-2)20-13-19(24(15-26(20)42-31)37(3)44(4,40)41)22-10-9-17-11-12-38-23-8-6-7-21(33)18(23)14-25(38)30(17)36-22;1-16-34-15-27(42-16)30-28(31(38)33-2)20-12-19(24(14-26(20)41-30)36(3)43(4,39)40)22-9-8-17-10-11-37-23-7-5-6-21(32)18(23)13-25(37)29(17)35-22;1-33-31(37)28-20-14-19(24(35(2)42(3,38)39)16-26(20)40-30(28)27-8-5-13-41-27)22-10-9-17-11-12-36-23-7-4-6-21(32)18(23)15-25(36)29(17)34-22/h6-12,14-18,20H,13H2,1-5H3,(H,37,41);5-11,13-18H,12H2,1-4H3,(H,37,41);5-11,14-18H,12-13H2,1-4H3,(H,36,40);6-10,13-18H,5,11-12H2,1-4H3;6-10,13-16H,5,11-12H2,1-4H3,(H,34,39);5-9,12-15H,10-11H2,1-4H3,(H,33,38);4-10,13-16H,11-12H2,1-3H3,(H,33,37)
InChIKeyFOMDFTOUDOFJGB-UHFFFAOYSA-N
MW4312.94 g/mol
LogP46.30
Rot. Bonds37

About 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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

2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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 (PubChem CID 158094278) has the molecular formula C231H196F8N30O28S10 and a molecular weight of 4312.94 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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
PubChem CID158094278
Molecular FormulaC231H196F8N30O28S10
Molecular Weight4312.94 g/mol
Exact Mass4309.19
IUPAC Name2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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
SMILESCCC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CCn3c-4cc4c(F)cccc43)cc12.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CC5)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CCn3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2cccs2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2cnc(C)s2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C35H31FN4O4S.C34H28F2N4O4S.2C34H29FN4O4S.C32H28FN5O4S2.C31H26FN5O4S2.C31H25FN4O4S2/c1-19-9-11-21(12-10-19)34-33(35(41)37-3)26-14-25(30(17-32(26)44-34)39(4)45(5,42)43)28-15-23-22(18-38-28)13-20(2)40-29-8-6-7-27(36)24(29)16-31(23)40;1-18-12-20-17-38-27(14-22(20)30-15-23-26(36)6-5-7-28(23)40(18)30)24-13-25-31(16-29(24)39(3)45(4,42)43)44-33(32(25)34(41)37-2)19-8-10-21(35)11-9-19;1-19-8-10-20(11-9-19)33-32(34(40)36-2)25-14-24(29(17-31(25)43-33)38(3)44(4,41)42)27-15-22-21(18-37-27)12-13-39-28-7-5-6-26(35)23(28)16-30(22)39;1-5-31(40)33-25-13-24(29(38(3)44(4,41)42)16-32(25)43-34(33)21-10-9-19(2)36-18-21)27-14-22-20(17-37-27)11-12-39-28-8-6-7-26(35)23(28)15-30(22)39;1-5-28-35-16-27(43-28)31-29(32(39)34-2)20-13-19(24(15-26(20)42-31)37(3)44(4,40)41)22-10-9-17-11-12-38-23-8-6-7-21(33)18(23)14-25(38)30(17)36-22;1-16-34-15-27(42-16)30-28(31(38)33-2)20-12-19(24(14-26(20)41-30)36(3)43(4,39)40)22-9-8-17-10-11-37-23-7-5-6-21(32)18(23)13-25(37)29(17)35-22;1-33-31(37)28-20-14-19(24(35(2)42(3,38)39)16-26(20)40-30(28)27-8-5-13-41-27)22-10-9-17-11-12-36-23-7-4-6-21(32)18(23)15-25(36)29(17)34-22/h6-12,14-18,20H,13H2,1-5H3,(H,37,41);5-11,13-18H,12H2,1-4H3,(H,37,41);5-11,14-18H,12-13H2,1-4H3,(H,36,40);6-10,13-18H,5,11-12H2,1-4H3;6-10,13-16H,5,11-12H2,1-4H3,(H,34,39);5-9,12-15H,10-11H2,1-4H3,(H,33,38);4-10,13-16H,11-12H2,1-3H3,(H,33,37)
InChIKeyFOMDFTOUDOFJGB-UHFFFAOYSA-N
XLogP46.30
TPSA708.72 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds37
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004312.94
LogP ≤ 546.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Analyze 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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 (CID 158094278) is 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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 is CCC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CCn3c-4cc4c(F)cccc43)cc12.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CC5)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CCn3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2cccs2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2cnc(C)s2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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?
The InChIKey is FOMDFTOUDOFJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31FN4O4S.C34H28F2N4O4S.2C34H29FN4O4S.C32H28FN5O4S2.C31H26FN5O4S2.C31H25FN4O4S2/c1-19-9-11-21(12-10-19)34-33(35(41)37-3)26-14-25(30(17-32(26)44-34)39(4)45(5,42)43)28-15-23-22(18-38-28)13-20(2)40-29-8-6-7-27(36)24(29)16-31(23)40;1-18-12-20-17-38-27(14-22(20)30-15-23-26(36)6-5-7-28(23)40(18)30)24-13-25-31(16-29(24)39(3)45(4,42)43)44-33(32(25)34(41)37-2)19-8-10-21(35)11-9-19;1-19-8-10-20(11-9-19)33-32(34(40)36-2)25-14-24(29(17-31(25)43-33)38(3)44(4,41)42)27-15-22-21(18-37-27)12-13-39-28-7-5-6-26(35)23(28)16-30(22)39;1-5-31(40)33-25-13-24(29(38(3)44(4,41)42)16-32(25)43-34(33)21-10-9-19(2)36-18-21)27-14-22-20(17-37-27)11-12-39-28-8-6-7-26(35)23(28)15-30(22)39;1-5-28-35-16-27(43-28)31-29(32(39)34-2)20-13-19(24(15-26(20)42-31)37(3)44(4,40)41)22-10-9-17-11-12-38-23-8-6-7-21(33)18(23)14-25(38)30(17)36-22;1-16-34-15-27(42-16)30-28(31(38)33-2)20-12-19(24(14-26(20)41-30)36(3)43(4,39)40)22-9-8-17-10-11-37-23-7-5-6-21(32)18(23)13-25(37)29(17)35-22;1-33-31(37)28-20-14-19(24(35(2)42(3,38)39)16-26(20)40-30(28)27-8-5-13-41-27)22-10-9-17-11-12-36-23-7-4-6-21(32)18(23)15-25(36)29(17)34-22/h6-12,14-18,20H,13H2,1-5H3,(H,37,41);5-11,13-18H,12H2,1-4H3,(H,37,41);5-11,14-18H,12-13H2,1-4H3,(H,36,40);6-10,13-18H,5,11-12H2,1-4H3;6-10,13-16H,5,11-12H2,1-4H3,(H,34,39);5-9,12-15H,10-11H2,1-4H3,(H,33,38);4-10,13-16H,11-12H2,1-3H3,(H,33,37).
What are the key properties of 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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?
2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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 has a molecular weight of 4312.94 g/mol, XLogP of 46.30, 37 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(6-methyl-3-pyridinyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-thiophen-2-yl-1-benzofuran-3-carboxamide;5-(11-fluoro-6-methyl-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-6-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 is sourced from PubChem (CID 158094278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).