5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C360H369F4N61O64S8 — CID 167628010

IUPAC5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)c1ccc(-c2ccc(-c3cn4cc(OCCOCCOCCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)ccc4n3)nc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCN5CCN(C(=O)COc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOCCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOCCOCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)nc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCNCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCNC(=O)CCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)cc4s3)cc2)cn1.COc1cc(-c2ccc(N(C)C)nc2)cnc1-c1nc2ccc(OCCOCCOc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1
InChIInChI=1S/C44H48FN7O11.C44H49N7O10S.C44H51N7O9S.C42H41F3N8O5S.C39H38N6O6S.C38H38N6O5S.C37H36N6O7S.C36H33N7O6S.C36H35N7O5S/c1-50(2)38-11-7-32(41(45)48-38)29-3-8-35(46-26-29)36-28-51-27-31(5-10-39(51)47-36)63-24-22-61-20-18-59-16-14-57-13-15-58-17-19-60-21-23-62-30-4-6-33-34(25-30)44(56)52(43(33)55)37-9-12-40(53)49-42(37)54;1-50(2)39-11-4-29(27-47-39)35-8-3-30(28-46-35)42-48-36-9-5-31(25-38(36)62-42)45-13-14-56-15-16-57-17-18-58-19-20-59-21-22-60-23-24-61-32-6-7-33-34(26-32)44(55)51(43(33)54)37-10-12-40(52)49-41(37)53;1-50(2)40-11-4-31(28-47-40)30-3-8-37(46-27-30)43-48-36-9-5-33(26-39(36)61-43)45-13-14-55-15-16-56-17-18-57-19-20-58-21-22-59-23-24-60-34-6-7-35-32(25-34)29-51(44(35)54)38-10-12-41(52)49-42(38)53;1-50(2)36-11-4-26(22-47-36)25-3-7-31(32(20-25)42(43,44)45)40-48-33-9-5-28(21-35(33)59-40)46-13-14-51-15-17-52(18-16-51)38(55)24-58-29-6-8-30-27(19-29)23-53(41(30)57)34-10-12-37(54)49-39(34)56;1-44(2)34-15-10-26(22-41-34)24-5-7-25(8-6-24)38-42-31-13-12-29(21-33(31)52-38)51-19-17-40-35(46)4-3-18-50-28-11-9-27-23-45(39(49)30(27)20-28)32-14-16-36(47)43-37(32)48;1-43(2)34-14-8-26(22-40-34)24-4-6-25(7-5-24)37-41-31-12-10-29(21-33(31)50-37)48-18-3-16-39-17-19-49-28-9-11-30-27(20-28)23-44(38(30)47)32-13-15-35(45)42-36(32)46;1-42(2)32-10-4-22(19-38-32)23-17-30(47-3)34(39-20-23)36-40-28-8-6-26(18-31(28)51-36)50-15-13-48-12-14-49-25-5-7-27-24(16-25)21-43(37(27)46)29-9-11-33(44)41-35(29)45;1-42(2)31-11-4-21(19-39-31)27-8-3-22(20-38-27)34-40-28-9-5-23(17-30(28)50-34)37-13-14-48-15-16-49-24-6-7-25-26(18-24)36(47)43(35(25)46)29-10-12-32(44)41-33(29)45;1-42(2)32-11-4-22(19-39-32)28-8-3-23(20-38-28)35-40-29-9-5-25(18-31(29)49-35)37-13-14-47-15-16-48-26-6-7-27-24(17-26)21-43(36(27)46)30-10-12-33(44)41-34(30)45/h3-8,10-11,25-28,37H,9,12-24H2,1-2H3,(H,49,53,54);3-9,11,25-28,37,45H,10,12-24H2,1-2H3,(H,49,52,53);3-9,11,25-28,38,45H,10,12-24,29H2,1-2H3,(H,49,52,53);3-9,11,19-22,34,46H,10,12-18,23-24H2,1-2H3,(H,49,54,56);5-13,15,20-22,32H,3-4,14,16-19,23H2,1-2H3,(H,40,46)(H,43,47,48);4-12,14,20-22,32,39H,3,13,15-19,23H2,1-2H3,(H,42,45,46);4-8,10,16-20,29H,9,11-15,21H2,1-3H3,(H,41,44,45);3-9,11,17-20,29,37H,10,12-16H2,1-2H3,(H,41,44,45);3-9,11,17-20,30,37H,10,12-16,21H2,1-2H3,(H,41,44,45)
InChIKeyNJRINFUCMPZMMA-UHFFFAOYSA-N
MW6906.80 g/mol
LogP42.77
Rot. Bonds146

About 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167628010) has the molecular formula C360H369F4N61O64S8 and a molecular weight of 6906.80 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167628010
Molecular FormulaC360H369F4N61O64S8
Molecular Weight6906.80 g/mol
Exact Mass6901.52
IUPAC Name5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)c1ccc(-c2ccc(-c3cn4cc(OCCOCCOCCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)ccc4n3)nc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCN5CCN(C(=O)COc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOCCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOCCOCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)nc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCNCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCNC(=O)CCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)cc4s3)cc2)cn1.COc1cc(-c2ccc(N(C)C)nc2)cnc1-c1nc2ccc(OCCOCCOc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1
InChIInChI=1S/C44H48FN7O11.C44H49N7O10S.C44H51N7O9S.C42H41F3N8O5S.C39H38N6O6S.C38H38N6O5S.C37H36N6O7S.C36H33N7O6S.C36H35N7O5S/c1-50(2)38-11-7-32(41(45)48-38)29-3-8-35(46-26-29)36-28-51-27-31(5-10-39(51)47-36)63-24-22-61-20-18-59-16-14-57-13-15-58-17-19-60-21-23-62-30-4-6-33-34(25-30)44(56)52(43(33)55)37-9-12-40(53)49-42(37)54;1-50(2)39-11-4-29(27-47-39)35-8-3-30(28-46-35)42-48-36-9-5-31(25-38(36)62-42)45-13-14-56-15-16-57-17-18-58-19-20-59-21-22-60-23-24-61-32-6-7-33-34(26-32)44(55)51(43(33)54)37-10-12-40(52)49-41(37)53;1-50(2)40-11-4-31(28-47-40)30-3-8-37(46-27-30)43-48-36-9-5-33(26-39(36)61-43)45-13-14-55-15-16-56-17-18-57-19-20-58-21-22-59-23-24-60-34-6-7-35-32(25-34)29-51(44(35)54)38-10-12-41(52)49-42(38)53;1-50(2)36-11-4-26(22-47-36)25-3-7-31(32(20-25)42(43,44)45)40-48-33-9-5-28(21-35(33)59-40)46-13-14-51-15-17-52(18-16-51)38(55)24-58-29-6-8-30-27(19-29)23-53(41(30)57)34-10-12-37(54)49-39(34)56;1-44(2)34-15-10-26(22-41-34)24-5-7-25(8-6-24)38-42-31-13-12-29(21-33(31)52-38)51-19-17-40-35(46)4-3-18-50-28-11-9-27-23-45(39(49)30(27)20-28)32-14-16-36(47)43-37(32)48;1-43(2)34-14-8-26(22-40-34)24-4-6-25(7-5-24)37-41-31-12-10-29(21-33(31)50-37)48-18-3-16-39-17-19-49-28-9-11-30-27(20-28)23-44(38(30)47)32-13-15-35(45)42-36(32)46;1-42(2)32-10-4-22(19-38-32)23-17-30(47-3)34(39-20-23)36-40-28-8-6-26(18-31(28)51-36)50-15-13-48-12-14-49-25-5-7-27-24(16-25)21-43(37(27)46)29-9-11-33(44)41-35(29)45;1-42(2)31-11-4-21(19-39-31)27-8-3-22(20-38-27)34-40-28-9-5-23(17-30(28)50-34)37-13-14-48-15-16-49-24-6-7-25-26(18-24)36(47)43(35(25)46)29-10-12-32(44)41-33(29)45;1-42(2)32-11-4-22(19-39-32)28-8-3-23(20-38-28)35-40-29-9-5-25(18-31(29)49-35)37-13-14-47-15-16-48-26-6-7-27-24(17-26)21-43(36(27)46)30-10-12-33(44)41-34(30)45/h3-8,10-11,25-28,37H,9,12-24H2,1-2H3,(H,49,53,54);3-9,11,25-28,37,45H,10,12-24H2,1-2H3,(H,49,52,53);3-9,11,25-28,38,45H,10,12-24,29H2,1-2H3,(H,49,52,53);3-9,11,19-22,34,46H,10,12-18,23-24H2,1-2H3,(H,49,54,56);5-13,15,20-22,32H,3-4,14,16-19,23H2,1-2H3,(H,40,46)(H,43,47,48);4-12,14,20-22,32,39H,3,13,15-19,23H2,1-2H3,(H,42,45,46);4-8,10,16-20,29H,9,11-15,21H2,1-3H3,(H,41,44,45);3-9,11,17-20,29,37H,10,12-16H2,1-2H3,(H,41,44,45);3-9,11,17-20,30,37H,10,12-16,21H2,1-2H3,(H,41,44,45)
InChIKeyNJRINFUCMPZMMA-UHFFFAOYSA-N
XLogP42.77
TPSA1412.65 Ų
H-Bond Donors16
H-Bond Acceptors113
Rotatable Bonds146
Heavy Atoms497
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006906.80
LogP ≤ 542.77
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 10113

Analyze 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167628010) is 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN(C)c1ccc(-c2ccc(-c3cn4cc(OCCOCCOCCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)ccc4n3)nc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCN5CCN(C(=O)COc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOCCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOCCOCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)nc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCNCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCNC(=O)CCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)cc4s3)cc2)cn1.COc1cc(-c2ccc(N(C)C)nc2)cnc1-c1nc2ccc(OCCOCCOc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1.
What is the InChIKey of 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NJRINFUCMPZMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48FN7O11.C44H49N7O10S.C44H51N7O9S.C42H41F3N8O5S.C39H38N6O6S.C38H38N6O5S.C37H36N6O7S.C36H33N7O6S.C36H35N7O5S/c1-50(2)38-11-7-32(41(45)48-38)29-3-8-35(46-26-29)36-28-51-27-31(5-10-39(51)47-36)63-24-22-61-20-18-59-16-14-57-13-15-58-17-19-60-21-23-62-30-4-6-33-34(25-30)44(56)52(43(33)55)37-9-12-40(53)49-42(37)54;1-50(2)39-11-4-29(27-47-39)35-8-3-30(28-46-35)42-48-36-9-5-31(25-38(36)62-42)45-13-14-56-15-16-57-17-18-58-19-20-59-21-22-60-23-24-61-32-6-7-33-34(26-32)44(55)51(43(33)54)37-10-12-40(52)49-41(37)53;1-50(2)40-11-4-31(28-47-40)30-3-8-37(46-27-30)43-48-36-9-5-33(26-39(36)61-43)45-13-14-55-15-16-56-17-18-57-19-20-58-21-22-59-23-24-60-34-6-7-35-32(25-34)29-51(44(35)54)38-10-12-41(52)49-42(38)53;1-50(2)36-11-4-26(22-47-36)25-3-7-31(32(20-25)42(43,44)45)40-48-33-9-5-28(21-35(33)59-40)46-13-14-51-15-17-52(18-16-51)38(55)24-58-29-6-8-30-27(19-29)23-53(41(30)57)34-10-12-37(54)49-39(34)56;1-44(2)34-15-10-26(22-41-34)24-5-7-25(8-6-24)38-42-31-13-12-29(21-33(31)52-38)51-19-17-40-35(46)4-3-18-50-28-11-9-27-23-45(39(49)30(27)20-28)32-14-16-36(47)43-37(32)48;1-43(2)34-14-8-26(22-40-34)24-4-6-25(7-5-24)37-41-31-12-10-29(21-33(31)50-37)48-18-3-16-39-17-19-49-28-9-11-30-27(20-28)23-44(38(30)47)32-13-15-35(45)42-36(32)46;1-42(2)32-10-4-22(19-38-32)23-17-30(47-3)34(39-20-23)36-40-28-8-6-26(18-31(28)51-36)50-15-13-48-12-14-49-25-5-7-27-24(16-25)21-43(37(27)46)29-9-11-33(44)41-35(29)45;1-42(2)31-11-4-21(19-39-31)27-8-3-22(20-38-27)34-40-28-9-5-23(17-30(28)50-34)37-13-14-48-15-16-49-24-6-7-25-26(18-24)36(47)43(35(25)46)29-10-12-32(44)41-33(29)45;1-42(2)32-11-4-22(19-39-32)28-8-3-23(20-38-28)35-40-29-9-5-25(18-31(29)49-35)37-13-14-47-15-16-48-26-6-7-27-24(17-26)21-43(36(27)46)30-10-12-33(44)41-34(30)45/h3-8,10-11,25-28,37H,9,12-24H2,1-2H3,(H,49,53,54);3-9,11,25-28,37,45H,10,12-24H2,1-2H3,(H,49,52,53);3-9,11,25-28,38,45H,10,12-24,29H2,1-2H3,(H,49,52,53);3-9,11,19-22,34,46H,10,12-18,23-24H2,1-2H3,(H,49,54,56);5-13,15,20-22,32H,3-4,14,16-19,23H2,1-2H3,(H,40,46)(H,43,47,48);4-12,14,20-22,32,39H,3,13,15-19,23H2,1-2H3,(H,42,45,46);4-8,10,16-20,29H,9,11-15,21H2,1-3H3,(H,41,44,45);3-9,11,17-20,29,37H,10,12-16H2,1-2H3,(H,41,44,45);3-9,11,17-20,30,37H,10,12-16,21H2,1-2H3,(H,41,44,45).
What are the key properties of 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 6906.80 g/mol, XLogP of 42.77, 146 rotatable bonds, 16 hydrogen bond donors, and 113 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-[2-[2-[5-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-methoxy-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]butanamide;3-[6-[2-[3-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]propylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[2-[2-[2-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[6-[2-[2-[2-[2-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]amino]ethyl]piperazin-1-yl]-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167628010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).