(5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile

C212H163F6N35O49S — CID 157341457

IUPAC(5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile
SMILESCCC1(c2cc(F)c3oc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)cc3c2)NC(=O)CC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cc(O)cc(-c6ccncc6)c5)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(C#N)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(S(N)(=O)=O)cc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cncc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)CC5=O)c(C)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)CC5=O)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C31H23N5O6.C27H22F2N4O7.C27H23FN4O7.2C27H19N5O5.C27H22N4O7S.C26H21FN4O7.C20H14F2N4O5/c1-41-22-3-2-18-15-36(28(38)23(18)13-22)16-31(29(39)34-30(40)35-31)27-14-25-26(42-27)5-4-24(33-25)20-10-19(11-21(37)12-20)17-6-8-32-9-7-17;1-3-26(17(34)9-19(35)31-26)14-6-13-7-18(40-22(13)15(28)8-14)27(24(37)30-25(38)32-27)11-33-10-12-4-5-16(39-2)21(29)20(12)23(33)36;1-12-6-17-14(7-15(12)26(2)18(33)9-20(34)30-26)8-19(39-17)27(24(36)29-25(37)31-27)11-32-10-13-4-5-16(38-3)22(28)21(13)23(32)35;1-36-18-5-3-16-13-32(25(34)19(16)8-18)14-27(10-24(33)31-26(27)35)23-9-21-22(37-23)7-6-20(30-21)15-2-4-17(11-28)29-12-15;1-36-18-3-2-16-13-32(25(34)19(16)7-18)14-27(9-24(33)31-26(27)35)23-8-21-22(37-23)5-4-20(30-21)17-6-15(10-28)11-29-12-17;1-37-17-5-2-16-13-31(25(33)19(16)10-17)14-27(12-24(32)30-26(27)34)23-11-21-22(38-23)9-8-20(29-21)15-3-6-18(7-4-15)39(28,35)36;1-25(17(32)9-19(33)29-25)14-4-6-15-13(7-14)8-18(38-15)26(23(35)28-24(36)30-26)11-31-10-12-3-5-16(37-2)21(27)20(12)22(31)34;1-30-12-3-2-9-7-26(17(27)15(9)16(12)22)8-20(18(28)24-19(29)25-20)14-5-11-13(31-14)4-10(21)6-23-11/h2-14,37H,15-16H2,1H3,(H2,34,35,39,40);4-8H,3,9-11H2,1-2H3,(H,31,35)(H2,30,32,37,38);4-8H,9-11H2,1-3H3,(H,30,34)(H2,29,31,36,37);2-9,12H,10,13-14H2,1H3,(H,31,33,35);2-8,11-12H,9,13-14H2,1H3,(H,31,33,35);2-11H,12-14H2,1H3,(H2,28,35,36)(H,30,32,34);3-8H,9-11H2,1-2H3,(H,29,33)(H2,28,30,35,36);2-6H,7-8H2,1H3,(H2,24,25,28,29)/t31-;2*26?,27-;3*27-;25?,26-;20-/m00011100/s1
InChIKeyBGLGKVNAKQPTRM-NSUOFKSTSA-N
MW4130.89 g/mol
LogP18.84
Rot. Bonds42

About (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile

(5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile (PubChem CID 157341457) has the molecular formula C212H163F6N35O49S and a molecular weight of 4130.89 g/mol. Its IUPAC name is (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile
PubChem CID157341457
Molecular FormulaC212H163F6N35O49S
Molecular Weight4130.89 g/mol
Exact Mass4128.10
IUPAC Name(5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile
SMILESCCC1(c2cc(F)c3oc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)cc3c2)NC(=O)CC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cc(O)cc(-c6ccncc6)c5)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(C#N)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(S(N)(=O)=O)cc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cncc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)CC5=O)c(C)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)CC5=O)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C31H23N5O6.C27H22F2N4O7.C27H23FN4O7.2C27H19N5O5.C27H22N4O7S.C26H21FN4O7.C20H14F2N4O5/c1-41-22-3-2-18-15-36(28(38)23(18)13-22)16-31(29(39)34-30(40)35-31)27-14-25-26(42-27)5-4-24(33-25)20-10-19(11-21(37)12-20)17-6-8-32-9-7-17;1-3-26(17(34)9-19(35)31-26)14-6-13-7-18(40-22(13)15(28)8-14)27(24(37)30-25(38)32-27)11-33-10-12-4-5-16(39-2)21(29)20(12)23(33)36;1-12-6-17-14(7-15(12)26(2)18(33)9-20(34)30-26)8-19(39-17)27(24(36)29-25(37)31-27)11-32-10-13-4-5-16(38-3)22(28)21(13)23(32)35;1-36-18-5-3-16-13-32(25(34)19(16)8-18)14-27(10-24(33)31-26(27)35)23-9-21-22(37-23)7-6-20(30-21)15-2-4-17(11-28)29-12-15;1-36-18-3-2-16-13-32(25(34)19(16)7-18)14-27(9-24(33)31-26(27)35)23-8-21-22(37-23)5-4-20(30-21)17-6-15(10-28)11-29-12-17;1-37-17-5-2-16-13-31(25(33)19(16)10-17)14-27(12-24(32)30-26(27)34)23-11-21-22(38-23)9-8-20(29-21)15-3-6-18(7-4-15)39(28,35)36;1-25(17(32)9-19(33)29-25)14-4-6-15-13(7-14)8-18(38-15)26(23(35)28-24(36)30-26)11-31-10-12-3-5-16(37-2)21(27)20(12)22(31)34;1-30-12-3-2-9-7-26(17(27)15(9)16(12)22)8-20(18(28)24-19(29)25-20)14-5-11-13(31-14)4-10(21)6-23-11/h2-14,37H,15-16H2,1H3,(H2,34,35,39,40);4-8H,3,9-11H2,1-2H3,(H,31,35)(H2,30,32,37,38);4-8H,9-11H2,1-3H3,(H,30,34)(H2,29,31,36,37);2-9,12H,10,13-14H2,1H3,(H,31,33,35);2-8,11-12H,9,13-14H2,1H3,(H,31,33,35);2-11H,12-14H2,1H3,(H2,28,35,36)(H,30,32,34);3-8H,9-11H2,1-2H3,(H,29,33)(H2,28,30,35,36);2-6H,7-8H2,1H3,(H2,24,25,28,29)/t31-;2*26?,27-;3*27-;25?,26-;20-/m00011100/s1
InChIKeyBGLGKVNAKQPTRM-NSUOFKSTSA-N
XLogP18.84
TPSA1140.55 Ų
H-Bond Donors18
H-Bond Acceptors59
Rotatable Bonds42
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004130.89
LogP ≤ 518.84
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1059

Analyze (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile with MolForge

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What is the IUPAC name of (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile?
The IUPAC name of (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile (CID 157341457) is (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile is CCC1(c2cc(F)c3oc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)cc3c2)NC(=O)CC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cc(O)cc(-c6ccncc6)c5)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(C#N)nc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(S(N)(=O)=O)cc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cncc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)CC5=O)c(C)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)CC5=O)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(F)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile?
The InChIKey is BGLGKVNAKQPTRM-NSUOFKSTSA-N. The full InChI is InChI=1S/C31H23N5O6.C27H22F2N4O7.C27H23FN4O7.2C27H19N5O5.C27H22N4O7S.C26H21FN4O7.C20H14F2N4O5/c1-41-22-3-2-18-15-36(28(38)23(18)13-22)16-31(29(39)34-30(40)35-31)27-14-25-26(42-27)5-4-24(33-25)20-10-19(11-21(37)12-20)17-6-8-32-9-7-17;1-3-26(17(34)9-19(35)31-26)14-6-13-7-18(40-22(13)15(28)8-14)27(24(37)30-25(38)32-27)11-33-10-12-4-5-16(39-2)21(29)20(12)23(33)36;1-12-6-17-14(7-15(12)26(2)18(33)9-20(34)30-26)8-19(39-17)27(24(36)29-25(37)31-27)11-32-10-13-4-5-16(38-3)22(28)21(13)23(32)35;1-36-18-5-3-16-13-32(25(34)19(16)8-18)14-27(10-24(33)31-26(27)35)23-9-21-22(37-23)7-6-20(30-21)15-2-4-17(11-28)29-12-15;1-36-18-3-2-16-13-32(25(34)19(16)7-18)14-27(9-24(33)31-26(27)35)23-8-21-22(37-23)5-4-20(30-21)17-6-15(10-28)11-29-12-17;1-37-17-5-2-16-13-31(25(33)19(16)10-17)14-27(12-24(32)30-26(27)34)23-11-21-22(38-23)9-8-20(29-21)15-3-6-18(7-4-15)39(28,35)36;1-25(17(32)9-19(33)29-25)14-4-6-15-13(7-14)8-18(38-15)26(23(35)28-24(36)30-26)11-31-10-12-3-5-16(37-2)21(27)20(12)22(31)34;1-30-12-3-2-9-7-26(17(27)15(9)16(12)22)8-20(18(28)24-19(29)25-20)14-5-11-13(31-14)4-10(21)6-23-11/h2-14,37H,15-16H2,1H3,(H2,34,35,39,40);4-8H,3,9-11H2,1-2H3,(H,31,35)(H2,30,32,37,38);4-8H,9-11H2,1-3H3,(H,30,34)(H2,29,31,36,37);2-9,12H,10,13-14H2,1H3,(H,31,33,35);2-8,11-12H,9,13-14H2,1H3,(H,31,33,35);2-11H,12-14H2,1H3,(H2,28,35,36)(H,30,32,34);3-8H,9-11H2,1-2H3,(H,29,33)(H2,28,30,35,36);2-6H,7-8H2,1H3,(H2,24,25,28,29)/t31-;2*26?,27-;3*27-;25?,26-;20-/m00011100/s1.
What are the key properties of (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile?
(5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile has a molecular weight of 4130.89 g/mol, XLogP of 18.84, 42 rotatable bonds, 18 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[5-(2-ethyl-3,5-dioxopyrrolidin-2-yl)-7-fluoro-1-benzofuran-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-methyl-5-(2-methyl-3,5-dioxopyrrolidin-2-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione;(5S)-5-[5-(3-hydroxy-5-pyridin-4-ylphenyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;4-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzenesulfonamide;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-2-carbonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 157341457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).