(3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione

C226H195Cl2F3N28O52 — CID 158029966

IUPAC(3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione
SMILESCCC1(c2cc(C)c3oc([C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3c2)CC(=O)NC1=O.CCC1(c2cc(F)c3oc([C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3c2)CC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5(C)CNC(=O)C5)cc(C)c4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5CNC(=O)C5)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(CC(N)=O)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnc(Cl)cc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C29H27N3O7.C28H24FN3O7.C28H26N4O5.C28H27N3O6.C25H22N4O6.C24H21N3O6.C22H18N2O5.2C21H15ClFN3O5/c1-4-28(11-22(33)30-26(28)36)18-7-15(2)24-17(8-18)9-21(39-24)29(12-23(34)31-27(29)37)14-32-13-16-5-6-19(38-3)10-20(16)25(32)35;1-3-27(10-21(33)30-25(27)36)16-6-15-7-20(39-23(15)19(29)8-16)28(11-22(34)31-26(28)37)13-32-12-14-4-5-17(38-2)9-18(14)24(32)35;1-15-25(16(2)31(3)30-15)17-6-8-22-19(9-17)10-23(37-22)28(12-24(33)29-27(28)35)14-32-13-18-5-7-20(36-4)11-21(18)26(32)34;1-15-6-18(27(2)10-22(32)29-13-27)7-17-8-21(37-24(15)17)28(11-23(33)30-26(28)35)14-31-12-16-4-5-19(36-3)9-20(16)25(31)34;1-34-17-4-2-14-11-29(22(31)18(14)9-17)12-25(23(32)27-24(33)28-25)20-7-15-6-13(3-5-19(15)35-20)16-8-21(30)26-10-16;1-32-16-4-3-14-11-27(22(30)17(14)9-16)12-24(10-21(29)26-23(24)31)19-8-15-6-13(7-20(25)28)2-5-18(15)33-19;1-28-15-7-6-14-11-24(20(26)16(14)9-15)12-22(10-19(25)23-21(22)27)18-8-13-4-2-3-5-17(13)29-18;1-30-12-3-2-10-8-26(19(28)17(10)18(12)23)9-21(6-16(27)25-20(21)29)14-4-11-7-24-15(22)5-13(11)31-14;1-30-13-3-2-10-8-26(19(28)16(10)17(13)23)9-21(7-15(27)25-20(21)29)14-6-11-12(31-14)4-5-24-18(11)22/h5-10H,4,11-14H2,1-3H3,(H,30,33,36)(H,31,34,37);4-9H,3,10-13H2,1-2H3,(H,30,33,36)(H,31,34,37);5-11H,12-14H2,1-4H3,(H,29,33,35);4-9H,10-14H2,1-3H3,(H,29,32)(H,30,33,35);2-7,9,16H,8,10-12H2,1H3,(H,26,30)(H2,27,28,32,33);2-6,8-9H,7,10-12H2,1H3,(H2,25,28)(H,26,29,31);2-9H,10-12H2,1H3,(H,23,25,27);2-5,7H,6,8-9H2,1H3,(H,25,27,29);2-6H,7-9H2,1H3,(H,25,27,29)/t28?,29-;27?,28-;28-;27?,28-;16?,25-;24-;22-;2*21-/m111101111/s1
InChIKeyFHBHRRQJCJFBSY-DJROQMEUSA-N
MW4263.09 g/mol
LogP21.13
Rot. Bonds45

About (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione

(3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 158029966) has the molecular formula C226H195Cl2F3N28O52 and a molecular weight of 4263.09 g/mol. Its IUPAC name is (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione
PubChem CID158029966
Molecular FormulaC226H195Cl2F3N28O52
Molecular Weight4263.09 g/mol
Exact Mass4259.28
IUPAC Name(3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione
SMILESCCC1(c2cc(C)c3oc([C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3c2)CC(=O)NC1=O.CCC1(c2cc(F)c3oc([C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3c2)CC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5(C)CNC(=O)C5)cc(C)c4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5CNC(=O)C5)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(CC(N)=O)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnc(Cl)cc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C29H27N3O7.C28H24FN3O7.C28H26N4O5.C28H27N3O6.C25H22N4O6.C24H21N3O6.C22H18N2O5.2C21H15ClFN3O5/c1-4-28(11-22(33)30-26(28)36)18-7-15(2)24-17(8-18)9-21(39-24)29(12-23(34)31-27(29)37)14-32-13-16-5-6-19(38-3)10-20(16)25(32)35;1-3-27(10-21(33)30-25(27)36)16-6-15-7-20(39-23(15)19(29)8-16)28(11-22(34)31-26(28)37)13-32-12-14-4-5-17(38-2)9-18(14)24(32)35;1-15-25(16(2)31(3)30-15)17-6-8-22-19(9-17)10-23(37-22)28(12-24(33)29-27(28)35)14-32-13-18-5-7-20(36-4)11-21(18)26(32)34;1-15-6-18(27(2)10-22(32)29-13-27)7-17-8-21(37-24(15)17)28(11-23(33)30-26(28)35)14-31-12-16-4-5-19(36-3)9-20(16)25(31)34;1-34-17-4-2-14-11-29(22(31)18(14)9-17)12-25(23(32)27-24(33)28-25)20-7-15-6-13(3-5-19(15)35-20)16-8-21(30)26-10-16;1-32-16-4-3-14-11-27(22(30)17(14)9-16)12-24(10-21(29)26-23(24)31)19-8-15-6-13(7-20(25)28)2-5-18(15)33-19;1-28-15-7-6-14-11-24(20(26)16(14)9-15)12-22(10-19(25)23-21(22)27)18-8-13-4-2-3-5-17(13)29-18;1-30-12-3-2-10-8-26(19(28)17(10)18(12)23)9-21(6-16(27)25-20(21)29)14-4-11-7-24-15(22)5-13(11)31-14;1-30-13-3-2-10-8-26(19(28)16(10)17(13)23)9-21(7-15(27)25-20(21)29)14-6-11-12(31-14)4-5-24-18(11)22/h5-10H,4,11-14H2,1-3H3,(H,30,33,36)(H,31,34,37);4-9H,3,10-13H2,1-2H3,(H,30,33,36)(H,31,34,37);5-11H,12-14H2,1-4H3,(H,29,33,35);4-9H,10-14H2,1-3H3,(H,29,32)(H,30,33,35);2-7,9,16H,8,10-12H2,1H3,(H,26,30)(H2,27,28,32,33);2-6,8-9H,7,10-12H2,1H3,(H2,25,28)(H,26,29,31);2-9H,10-12H2,1H3,(H,23,25,27);2-5,7H,6,8-9H2,1H3,(H,25,27,29);2-6H,7-9H2,1H3,(H,25,27,29)/t28?,29-;27?,28-;28-;27?,28-;16?,25-;24-;22-;2*21-/m111101111/s1
InChIKeyFHBHRRQJCJFBSY-DJROQMEUSA-N
XLogP21.13
TPSA1048.91 Ų
H-Bond Donors15
H-Bond Acceptors56
Rotatable Bonds45
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004263.09
LogP ≤ 521.13
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1056

Analyze (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione with MolForge

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What is the IUPAC name of (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione (CID 158029966) is (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione is CCC1(c2cc(C)c3oc([C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3c2)CC(=O)NC1=O.CCC1(c2cc(F)c3oc([C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3c2)CC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5(C)CNC(=O)C5)cc(C)c4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5CNC(=O)C5)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(CC(N)=O)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnc(Cl)cc4o3)CC(=O)NC1=O)C2.
What is the InChIKey of (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is FHBHRRQJCJFBSY-DJROQMEUSA-N. The full InChI is InChI=1S/C29H27N3O7.C28H24FN3O7.C28H26N4O5.C28H27N3O6.C25H22N4O6.C24H21N3O6.C22H18N2O5.2C21H15ClFN3O5/c1-4-28(11-22(33)30-26(28)36)18-7-15(2)24-17(8-18)9-21(39-24)29(12-23(34)31-27(29)37)14-32-13-16-5-6-19(38-3)10-20(16)25(32)35;1-3-27(10-21(33)30-25(27)36)16-6-15-7-20(39-23(15)19(29)8-16)28(11-22(34)31-26(28)37)13-32-12-14-4-5-17(38-2)9-18(14)24(32)35;1-15-25(16(2)31(3)30-15)17-6-8-22-19(9-17)10-23(37-22)28(12-24(33)29-27(28)35)14-32-13-18-5-7-20(36-4)11-21(18)26(32)34;1-15-6-18(27(2)10-22(32)29-13-27)7-17-8-21(37-24(15)17)28(11-23(33)30-26(28)35)14-31-12-16-4-5-19(36-3)9-20(16)25(31)34;1-34-17-4-2-14-11-29(22(31)18(14)9-17)12-25(23(32)27-24(33)28-25)20-7-15-6-13(3-5-19(15)35-20)16-8-21(30)26-10-16;1-32-16-4-3-14-11-27(22(30)17(14)9-16)12-24(10-21(29)26-23(24)31)19-8-15-6-13(7-20(25)28)2-5-18(15)33-19;1-28-15-7-6-14-11-24(20(26)16(14)9-15)12-22(10-19(25)23-21(22)27)18-8-13-4-2-3-5-17(13)29-18;1-30-12-3-2-10-8-26(19(28)17(10)18(12)23)9-21(6-16(27)25-20(21)29)14-4-11-7-24-15(22)5-13(11)31-14;1-30-13-3-2-10-8-26(19(28)16(10)17(13)23)9-21(7-15(27)25-20(21)29)14-6-11-12(31-14)4-5-24-18(11)22/h5-10H,4,11-14H2,1-3H3,(H,30,33,36)(H,31,34,37);4-9H,3,10-13H2,1-2H3,(H,30,33,36)(H,31,34,37);5-11H,12-14H2,1-4H3,(H,29,33,35);4-9H,10-14H2,1-3H3,(H,29,32)(H,30,33,35);2-7,9,16H,8,10-12H2,1H3,(H,26,30)(H2,27,28,32,33);2-6,8-9H,7,10-12H2,1H3,(H2,25,28)(H,26,29,31);2-9H,10-12H2,1H3,(H,23,25,27);2-5,7H,6,8-9H2,1H3,(H,25,27,29);2-6H,7-9H2,1H3,(H,25,27,29)/t28?,29-;27?,28-;28-;27?,28-;16?,25-;24-;22-;2*21-/m111101111/s1.
What are the key properties of (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione?
(3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione has a molecular weight of 4263.09 g/mol, XLogP of 21.13, 45 rotatable bonds, 15 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzofuran-2-yl)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(4-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-(6-chlorofuro[3,2-c]pyridin-2-yl)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;3-ethyl-3-[7-fluoro-2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]pyrrolidine-2,5-dione;3-ethyl-3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-7-methyl-1-benzofuran-5-yl]pyrrolidine-2,5-dione;2-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]acetamide;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[7-methyl-5-(3-methyl-5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-oxopyrrolidin-3-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158029966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).