(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione

C191H143F10N27O48 — CID 157070215

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)C(=O)NC5)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)CNC5=O)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(F)c5c(c4o3)CNC5=O)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(C)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)C(=O)N(C)C5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)CCC5=O)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ccc5c(c4o3)CNC5=O)NC(=O)NC1=O)C2
InChIInChI=1S/C25H20FN3O6.C24H18F2N4O6.2C24H17F2N3O6.2C24H19N3O6.C23H16F2N4O6.C23H17FN4O6/c1-11-18-12(3-5-15(18)30)7-14-8-17(35-21(11)14)25(23(32)27-24(33)28-25)10-29-9-13-4-6-16(34-2)20(26)19(13)22(29)31;1-29-7-12-5-11-6-14(36-19(11)18(26)16(12)20(29)31)24(22(33)27-23(34)28-24)9-30-8-10-3-4-13(35-2)17(25)15(10)21(30)32;1-34-15-5-2-10-8-29(21(31)17(10)19(15)26)9-24(22(32)27-23(33)28-24)16-7-11-6-13-12(3-4-14(13)30)18(25)20(11)35-16;1-34-14-5-3-11-8-29(21(31)17(11)18(14)25)9-24(22(32)27-23(33)28-24)15-7-12-6-10-2-4-13(30)16(10)19(26)20(12)35-15;1-32-14-4-2-13-10-27(22(30)15(13)6-14)11-24(8-19(28)26-23(24)31)18-7-16-17(33-18)5-3-12-9-25-21(29)20(12)16;1-32-13-3-2-12-10-27(22(30)15(12)6-13)11-24(8-20(28)26-23(24)31)19-7-16-17-9-25-21(29)14(17)4-5-18(16)33-19;1-34-13-3-2-9-7-29(20(31)15(9)17(13)25)8-23(21(32)27-22(33)28-23)14-5-10-4-12(24)16-11(18(10)35-14)6-26-19(16)30;1-33-14-5-3-11-8-28(20(30)16(11)17(14)24)9-23(21(31)26-22(32)27-23)15-6-10-2-4-12-13(18(10)34-15)7-25-19(12)29/h4,6-8H,3,5,9-10H2,1-2H3,(H2,27,28,32,33);3-6H,7-9H2,1-2H3,(H2,27,28,33,34);2,5-7H,3-4,8-9H2,1H3,(H2,27,28,32,33);3,5-7H,2,4,8-9H2,1H3,(H2,27,28,32,33);2*2-7H,8-11H2,1H3,(H,25,29)(H,26,28,31);2-5H,6-8H2,1H3,(H,26,30)(H2,27,28,32,33);2-6H,7-9H2,1H3,(H,25,29)(H2,26,27,31,32)/t25-;5*24-;2*23-/m00001100/s1
InChIKeyACIMMQKZNVZUHZ-GBIWVARJSA-N
MW3774.37 g/mol
LogP16.20
Rot. Bonds32

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione (PubChem CID 157070215) has the molecular formula C191H143F10N27O48 and a molecular weight of 3774.37 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione
PubChem CID157070215
Molecular FormulaC191H143F10N27O48
Molecular Weight3774.37 g/mol
Exact Mass3771.94
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)C(=O)NC5)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)CNC5=O)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(F)c5c(c4o3)CNC5=O)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(C)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)C(=O)N(C)C5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)CCC5=O)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ccc5c(c4o3)CNC5=O)NC(=O)NC1=O)C2
InChIInChI=1S/C25H20FN3O6.C24H18F2N4O6.2C24H17F2N3O6.2C24H19N3O6.C23H16F2N4O6.C23H17FN4O6/c1-11-18-12(3-5-15(18)30)7-14-8-17(35-21(11)14)25(23(32)27-24(33)28-25)10-29-9-13-4-6-16(34-2)20(26)19(13)22(29)31;1-29-7-12-5-11-6-14(36-19(11)18(26)16(12)20(29)31)24(22(33)27-23(34)28-24)9-30-8-10-3-4-13(35-2)17(25)15(10)21(30)32;1-34-15-5-2-10-8-29(21(31)17(10)19(15)26)9-24(22(32)27-23(33)28-24)16-7-11-6-13-12(3-4-14(13)30)18(25)20(11)35-16;1-34-14-5-3-11-8-29(21(31)17(11)18(14)25)9-24(22(32)27-23(33)28-24)15-7-12-6-10-2-4-13(30)16(10)19(26)20(12)35-15;1-32-14-4-2-13-10-27(22(30)15(13)6-14)11-24(8-19(28)26-23(24)31)18-7-16-17(33-18)5-3-12-9-25-21(29)20(12)16;1-32-13-3-2-12-10-27(22(30)15(12)6-13)11-24(8-20(28)26-23(24)31)19-7-16-17-9-25-21(29)14(17)4-5-18(16)33-19;1-34-13-3-2-9-7-29(20(31)15(9)17(13)25)8-23(21(32)27-22(33)28-23)14-5-10-4-12(24)16-11(18(10)35-14)6-26-19(16)30;1-33-14-5-3-11-8-28(20(30)16(11)17(14)24)9-23(21(31)26-22(32)27-23)15-6-10-2-4-12-13(18(10)34-15)7-25-19(12)29/h4,6-8H,3,5,9-10H2,1-2H3,(H2,27,28,32,33);3-6H,7-9H2,1-2H3,(H2,27,28,33,34);2,5-7H,3-4,8-9H2,1H3,(H2,27,28,32,33);3,5-7H,2,4,8-9H2,1H3,(H2,27,28,32,33);2*2-7H,8-11H2,1H3,(H,25,29)(H,26,28,31);2-5H,6-8H2,1H3,(H,26,30)(H2,27,28,32,33);2-6H,7-9H2,1H3,(H,25,29)(H2,26,27,31,32)/t25-;5*24-;2*23-/m00001100/s1
InChIKeyACIMMQKZNVZUHZ-GBIWVARJSA-N
XLogP16.20
TPSA970.90 Ų
H-Bond Donors18
H-Bond Acceptors48
Rotatable Bonds32
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003774.37
LogP ≤ 516.20
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1048

Analyze (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione with MolForge

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What is the IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione?
The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione (CID 157070215) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)C(=O)NC5)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)CNC5=O)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc(F)c5c(c4o3)CNC5=O)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(C)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)C(=O)N(C)C5)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)CCC5=O)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ccc5c(c4o3)CNC5=O)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione?
The InChIKey is ACIMMQKZNVZUHZ-GBIWVARJSA-N. The full InChI is InChI=1S/C25H20FN3O6.C24H18F2N4O6.2C24H17F2N3O6.2C24H19N3O6.C23H16F2N4O6.C23H17FN4O6/c1-11-18-12(3-5-15(18)30)7-14-8-17(35-21(11)14)25(23(32)27-24(33)28-25)10-29-9-13-4-6-16(34-2)20(26)19(13)22(29)31;1-29-7-12-5-11-6-14(36-19(11)18(26)16(12)20(29)31)24(22(33)27-23(34)28-24)9-30-8-10-3-4-13(35-2)17(25)15(10)21(30)32;1-34-15-5-2-10-8-29(21(31)17(10)19(15)26)9-24(22(32)27-23(33)28-24)16-7-11-6-13-12(3-4-14(13)30)18(25)20(11)35-16;1-34-14-5-3-11-8-29(21(31)17(11)18(14)25)9-24(22(32)27-23(33)28-24)15-7-12-6-10-2-4-13(30)16(10)19(26)20(12)35-15;1-32-14-4-2-13-10-27(22(30)15(13)6-14)11-24(8-19(28)26-23(24)31)18-7-16-17(33-18)5-3-12-9-25-21(29)20(12)16;1-32-13-3-2-12-10-27(22(30)15(12)6-13)11-24(8-20(28)26-23(24)31)19-7-16-17-9-25-21(29)14(17)4-5-18(16)33-19;1-34-13-3-2-9-7-29(20(31)15(9)17(13)25)8-23(21(32)27-22(33)28-23)14-5-10-4-12(24)16-11(18(10)35-14)6-26-19(16)30;1-33-14-5-3-11-8-28(20(30)16(11)17(14)24)9-23(21(31)26-22(32)27-23)15-6-10-2-4-12-13(18(10)34-15)7-25-19(12)29/h4,6-8H,3,5,9-10H2,1-2H3,(H2,27,28,32,33);3-6H,7-9H2,1-2H3,(H2,27,28,33,34);2,5-7H,3-4,8-9H2,1H3,(H2,27,28,32,33);3,5-7H,2,4,8-9H2,1H3,(H2,27,28,32,33);2*2-7H,8-11H2,1H3,(H,25,29)(H,26,28,31);2-5H,6-8H2,1H3,(H,26,30)(H2,27,28,32,33);2-6H,7-9H2,1H3,(H,25,29)(H2,26,27,31,32)/t25-;5*24-;2*23-/m00001100/s1.
What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione?
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione has a molecular weight of 3774.37 g/mol, XLogP of 16.20, 32 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-6-methyl-7-oxo-5H-furo[2,3-f]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-fluoro-6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-oxo-7,8-dihydrofuro[2,3-e]isoindol-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(1-oxo-2,3-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 157070215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).