2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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

C234H198F10N32O29S8 — CID 158981263

IUPAC2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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)cc2)oc2nc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CC5)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C(C)(F)F)nc2)oc2cc(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)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2F)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-n2ccccc2=O)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C35H31FN4O4S.C34H28F3N5O4S.C34H28F2N4O4S.C34H29FN4O4S.C33H28FN5O4S.C32H26FN5O5S.C32H28FN5O4S2/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;1-34(36,37)29-11-9-19(17-39-29)32-30(33(43)38-2)22-14-21(26(16-28(22)46-32)41(3)47(4,44)45)24-10-8-18-12-13-42-25-7-5-6-23(35)20(25)15-27(42)31(18)40-24;1-18-8-10-20(25(36)14-18)33-31(34(41)37-2)23-15-22(28(17-30(23)44-33)39(3)45(4,42)43)26-11-9-19-12-13-40-27-7-5-6-24(35)21(27)16-29(40)32(19)38-26;1-5-29(40)30-24-17-23(33(38(3)44(4,41)42)37-34(24)43-32(30)21-11-9-19(2)10-12-21)26-14-13-20-15-16-39-27-8-6-7-25(35)22(27)18-28(39)31(20)36-26;1-18-8-9-20(17-36-18)32-30(33(40)35-2)23-14-22(27(16-29(23)43-32)38(3)44(4,41)42)25-11-10-19-12-13-39-26-7-5-6-24(34)21(26)15-28(39)31(19)37-25;1-34-31(40)29-21-15-20(25(36(2)44(3,41)42)17-27(21)43-32(29)38-13-5-4-9-28(38)39)23-11-10-18-12-14-37-24-8-6-7-22(33)19(24)16-26(37)30(18)35-23;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/h6-12,14-18,20H,13H2,1-5H3,(H,37,41);5-11,14-17H,12-13H2,1-4H3,(H,38,43);5-11,14-17H,12-13H2,1-4H3,(H,37,41);6-14,17-18H,5,15-16H2,1-4H3;5-11,14-17H,12-13H2,1-4H3,(H,35,40);4-11,13,15-17H,12,14H2,1-3H3,(H,34,40);6-10,13-16H,5,11-12H2,1-4H3,(H,34,39)
InChIKeyJPAMWFBZCDGPGS-UHFFFAOYSA-N
MW4368.87 g/mol
LogP44.61
Rot. Bonds38

About 2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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 158981263) has the molecular formula C234H198F10N32O29S8 and a molecular weight of 4368.87 g/mol. Its IUPAC name is 2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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 CID158981263
Molecular FormulaC234H198F10N32O29S8
Molecular Weight4368.87 g/mol
Exact Mass4365.26
IUPAC Name2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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)cc2)oc2nc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CC5)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C(C)(F)F)nc2)oc2cc(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)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2F)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-n2ccccc2=O)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C35H31FN4O4S.C34H28F3N5O4S.C34H28F2N4O4S.C34H29FN4O4S.C33H28FN5O4S.C32H26FN5O5S.C32H28FN5O4S2/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;1-34(36,37)29-11-9-19(17-39-29)32-30(33(43)38-2)22-14-21(26(16-28(22)46-32)41(3)47(4,44)45)24-10-8-18-12-13-42-25-7-5-6-23(35)20(25)15-27(42)31(18)40-24;1-18-8-10-20(25(36)14-18)33-31(34(41)37-2)23-15-22(28(17-30(23)44-33)39(3)45(4,42)43)26-11-9-19-12-13-40-27-7-5-6-24(35)21(27)16-29(40)32(19)38-26;1-5-29(40)30-24-17-23(33(38(3)44(4,41)42)37-34(24)43-32(30)21-11-9-19(2)10-12-21)26-14-13-20-15-16-39-27-8-6-7-25(35)22(27)18-28(39)31(20)36-26;1-18-8-9-20(17-36-18)32-30(33(40)35-2)23-14-22(27(16-29(23)43-32)38(3)44(4,41)42)25-11-10-19-12-13-39-26-7-5-6-24(34)21(26)15-28(39)31(19)37-25;1-34-31(40)29-21-15-20(25(36(2)44(3,41)42)17-27(21)43-32(29)38-13-5-4-9-28(38)39)23-11-10-18-12-14-37-24-8-6-7-22(33)19(24)16-26(37)30(18)35-23;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/h6-12,14-18,20H,13H2,1-5H3,(H,37,41);5-11,14-17H,12-13H2,1-4H3,(H,38,43);5-11,14-17H,12-13H2,1-4H3,(H,37,41);6-14,17-18H,5,15-16H2,1-4H3;5-11,14-17H,12-13H2,1-4H3,(H,35,40);4-11,13,15-17H,12,14H2,1-3H3,(H,34,40);6-10,13-16H,5,11-12H2,1-4H3,(H,34,39)
InChIKeyJPAMWFBZCDGPGS-UHFFFAOYSA-N
XLogP44.61
TPSA743.61 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds38
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004368.87
LogP ≤ 544.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Analyze 2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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 158981263) is 2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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)cc2)oc2nc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CCc1ncc(-c2oc3cc(N(C)S(C)(=O)=O)c(-c4ccc5c(n4)-c4cc6c(F)cccc6n4CC5)cc3c2C(=O)NC)s1.CNC(=O)c1c(-c2ccc(C(C)(F)F)nc2)oc2cc(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)CC(C)n3c-4cc4c(F)cccc43)cc12.CNC(=O)c1c(-c2ccc(C)cc2F)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-n2ccccc2=O)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.
What is the InChIKey of 2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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 JPAMWFBZCDGPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31FN4O4S.C34H28F3N5O4S.C34H28F2N4O4S.C34H29FN4O4S.C33H28FN5O4S.C32H26FN5O5S.C32H28FN5O4S2/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;1-34(36,37)29-11-9-19(17-39-29)32-30(33(43)38-2)22-14-21(26(16-28(22)46-32)41(3)47(4,44)45)24-10-8-18-12-13-42-25-7-5-6-23(35)20(25)15-27(42)31(18)40-24;1-18-8-10-20(25(36)14-18)33-31(34(41)37-2)23-15-22(28(17-30(23)44-33)39(3)45(4,42)43)26-11-9-19-12-13-40-27-7-5-6-24(35)21(27)16-29(40)32(19)38-26;1-5-29(40)30-24-17-23(33(38(3)44(4,41)42)37-34(24)43-32(30)21-11-9-19(2)10-12-21)26-14-13-20-15-16-39-27-8-6-7-25(35)22(27)18-28(39)31(20)36-26;1-18-8-9-20(17-36-18)32-30(33(40)35-2)23-14-22(27(16-29(23)43-32)38(3)44(4,41)42)25-11-10-19-12-13-39-26-7-5-6-24(34)21(26)15-28(39)31(19)37-25;1-34-31(40)29-21-15-20(25(36(2)44(3,41)42)17-27(21)43-32(29)38-13-5-4-9-28(38)39)23-11-10-18-12-14-37-24-8-6-7-22(33)19(24)16-26(37)30(18)35-23;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/h6-12,14-18,20H,13H2,1-5H3,(H,37,41);5-11,14-17H,12-13H2,1-4H3,(H,38,43);5-11,14-17H,12-13H2,1-4H3,(H,37,41);6-14,17-18H,5,15-16H2,1-4H3;5-11,14-17H,12-13H2,1-4H3,(H,35,40);4-11,13,15-17H,12,14H2,1-3H3,(H,34,40);6-10,13-16H,5,11-12H2,1-4H3,(H,34,39).
What are the key properties of 2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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 4368.87 g/mol, XLogP of 44.61, 38 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,1-difluoroethyl)-3-pyridinyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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[1,2-h][1,7]naphthyridin-2-yl)-2-(2-fluoro-4-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-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-(6-methyl-3-pyridinyl)-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-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;N-[5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-methylphenyl)-3-propanoylfuro[2,3-b]pyridin-6-yl]-N-methylmethanesulfonamide;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 158981263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).