[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C262H242F7N37O43S5 — CID 167594024

IUPAC[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4o3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.COc1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)cn2c1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C40H38F3N5O7S.C38H34F3N5O6S.C38H36N6O5S.C38H35N5O7S.C37H35N5O7.C36H34N6O6.C35H30FN5O5S/c1-47(2)35-11-4-25(22-44-35)24-3-7-30(31(20-24)40(41,42)43)38-45-32-9-6-28(21-34(32)56-38)55-18-16-53-14-13-52-15-17-54-27-5-8-29-26(19-27)23-48(39(29)51)33-10-12-36(49)46-37(33)50;1-45(2)33-12-7-23(20-42-33)22-6-9-26(28(18-22)38(39,40)41)36-43-29-10-8-24(19-32(29)53-36)51-16-14-50-15-17-52-31-5-3-4-25-27(31)21-46(37(25)49)30-11-13-34(47)44-35(30)48;1-43(2)33-17-13-25(21-39-33)23-9-11-24(12-10-23)37-41-30-15-14-26(20-32(30)50-37)49-19-4-3-8-34(45)40-29-7-5-6-27-28(29)22-44(38(27)48)31-16-18-35(46)42-36(31)47;1-42(2)33-13-7-25(21-39-33)23-3-5-24(6-4-23)37-40-30-11-9-28(20-32(30)51-37)50-35(45)15-16-48-17-18-49-27-8-10-29-26(19-27)22-43(38(29)47)31-12-14-34(44)41-36(31)46;1-41(2)33-13-7-25(21-38-33)23-3-5-24(6-4-23)36-39-30-11-9-28(20-32(30)49-36)48-18-16-46-15-17-47-27-8-10-29-26(19-27)22-42(37(29)45)31-12-14-34(43)40-35(31)44;1-46-26-9-11-33-39-29(22-41(33)20-26)24-7-5-23(6-8-24)25-13-14-37-32(19-25)38-15-16-47-17-18-48-31-4-2-3-27-28(31)21-42(36(27)45)30-10-12-34(43)40-35(30)44;36-25-5-8-28-30(19-25)47-34(39-28)22-3-1-21(2-4-22)23-11-12-37-31(18-23)38-13-14-45-15-16-46-26-6-7-27-24(17-26)20-41(35(27)44)29-9-10-32(42)40-33(29)43/h3-9,11,19-22,33H,10,12-18,23H2,1-2H3,(H,46,49,50);3-10,12,18-20,30H,11,13-17,21H2,1-2H3,(H,44,47,48);5-7,9-15,17,20-21,31H,3-4,8,16,18-19,22H2,1-2H3,(H,40,45)(H,42,46,47);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,41,44,46);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,40,43,44);2-9,11,13-14,19-20,22,30H,10,12,15-18,21H2,1H3,(H,37,38)(H,40,43,44);1-8,11-12,17-19,29H,9-10,13-16,20H2,(H,37,38)(H,40,42,43)
InChIKeyIURZNFGSASQLAT-UHFFFAOYSA-N
MW4890.36 g/mol
LogP38.62
Rot. Bonds85

About [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167594024) has the molecular formula C262H242F7N37O43S5 and a molecular weight of 4890.36 g/mol. Its IUPAC name is [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167594024
Molecular FormulaC262H242F7N37O43S5
Molecular Weight4890.36 g/mol
Exact Mass4886.64
IUPAC Name[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4o3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.COc1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)cn2c1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C40H38F3N5O7S.C38H34F3N5O6S.C38H36N6O5S.C38H35N5O7S.C37H35N5O7.C36H34N6O6.C35H30FN5O5S/c1-47(2)35-11-4-25(22-44-35)24-3-7-30(31(20-24)40(41,42)43)38-45-32-9-6-28(21-34(32)56-38)55-18-16-53-14-13-52-15-17-54-27-5-8-29-26(19-27)23-48(39(29)51)33-10-12-36(49)46-37(33)50;1-45(2)33-12-7-23(20-42-33)22-6-9-26(28(18-22)38(39,40)41)36-43-29-10-8-24(19-32(29)53-36)51-16-14-50-15-17-52-31-5-3-4-25-27(31)21-46(37(25)49)30-11-13-34(47)44-35(30)48;1-43(2)33-17-13-25(21-39-33)23-9-11-24(12-10-23)37-41-30-15-14-26(20-32(30)50-37)49-19-4-3-8-34(45)40-29-7-5-6-27-28(29)22-44(38(27)48)31-16-18-35(46)42-36(31)47;1-42(2)33-13-7-25(21-39-33)23-3-5-24(6-4-23)37-40-30-11-9-28(20-32(30)51-37)50-35(45)15-16-48-17-18-49-27-8-10-29-26(19-27)22-43(38(29)47)31-12-14-34(44)41-36(31)46;1-41(2)33-13-7-25(21-38-33)23-3-5-24(6-4-23)36-39-30-11-9-28(20-32(30)49-36)48-18-16-46-15-17-47-27-8-10-29-26(19-27)22-42(37(29)45)31-12-14-34(43)40-35(31)44;1-46-26-9-11-33-39-29(22-41(33)20-26)24-7-5-23(6-8-24)25-13-14-37-32(19-25)38-15-16-47-17-18-48-31-4-2-3-27-28(31)21-42(36(27)45)30-10-12-34(43)40-35(30)44;36-25-5-8-28-30(19-25)47-34(39-28)22-3-1-21(2-4-22)23-11-12-37-31(18-23)38-13-14-45-15-16-46-26-6-7-27-24(17-26)20-41(35(27)44)29-9-10-32(42)40-33(29)43/h3-9,11,19-22,33H,10,12-18,23H2,1-2H3,(H,46,49,50);3-10,12,18-20,30H,11,13-17,21H2,1-2H3,(H,44,47,48);5-7,9-15,17,20-21,31H,3-4,8,16,18-19,22H2,1-2H3,(H,40,45)(H,42,46,47);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,41,44,46);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,40,43,44);2-9,11,13-14,19-20,22,30H,10,12,15-18,21H2,1H3,(H,37,38)(H,40,43,44);1-8,11-12,17-19,29H,9-10,13-16,20H2,(H,37,38)(H,40,42,43)
InChIKeyIURZNFGSASQLAT-UHFFFAOYSA-N
XLogP38.62
TPSA925.17 Ų
H-Bond Donors10
H-Bond Acceptors70
Rotatable Bonds85
Heavy Atoms354
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004890.36
LogP ≤ 538.62
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1070

Analyze [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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What is the IUPAC name of [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167594024) is [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4o3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.COc1ccc2nc(-c3ccc(-c4ccnc(NCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)c4)cc3)cn2c1.O=C1CCC(N2Cc3cc(OCCOCCNc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1.
What is the InChIKey of [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is IURZNFGSASQLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38F3N5O7S.C38H34F3N5O6S.C38H36N6O5S.C38H35N5O7S.C37H35N5O7.C36H34N6O6.C35H30FN5O5S/c1-47(2)35-11-4-25(22-44-35)24-3-7-30(31(20-24)40(41,42)43)38-45-32-9-6-28(21-34(32)56-38)55-18-16-53-14-13-52-15-17-54-27-5-8-29-26(19-27)23-48(39(29)51)33-10-12-36(49)46-37(33)50;1-45(2)33-12-7-23(20-42-33)22-6-9-26(28(18-22)38(39,40)41)36-43-29-10-8-24(19-32(29)53-36)51-16-14-50-15-17-52-31-5-3-4-25-27(31)21-46(37(25)49)30-11-13-34(47)44-35(30)48;1-43(2)33-17-13-25(21-39-33)23-9-11-24(12-10-23)37-41-30-15-14-26(20-32(30)50-37)49-19-4-3-8-34(45)40-29-7-5-6-27-28(29)22-44(38(27)48)31-16-18-35(46)42-36(31)47;1-42(2)33-13-7-25(21-39-33)23-3-5-24(6-4-23)37-40-30-11-9-28(20-32(30)51-37)50-35(45)15-16-48-17-18-49-27-8-10-29-26(19-27)22-43(38(29)47)31-12-14-34(44)41-36(31)46;1-41(2)33-13-7-25(21-38-33)23-3-5-24(6-4-23)36-39-30-11-9-28(20-32(30)49-36)48-18-16-46-15-17-47-27-8-10-29-26(19-27)22-42(37(29)45)31-12-14-34(43)40-35(31)44;1-46-26-9-11-33-39-29(22-41(33)20-26)24-7-5-23(6-8-24)25-13-14-37-32(19-25)38-15-16-47-17-18-48-31-4-2-3-27-28(31)21-42(36(27)45)30-10-12-34(43)40-35(30)44;36-25-5-8-28-30(19-25)47-34(39-28)22-3-1-21(2-4-22)23-11-12-37-31(18-23)38-13-14-45-15-16-46-26-6-7-27-24(17-26)20-41(35(27)44)29-9-10-32(42)40-33(29)43/h3-9,11,19-22,33H,10,12-18,23H2,1-2H3,(H,46,49,50);3-10,12,18-20,30H,11,13-17,21H2,1-2H3,(H,44,47,48);5-7,9-15,17,20-21,31H,3-4,8,16,18-19,22H2,1-2H3,(H,40,45)(H,42,46,47);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,41,44,46);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,40,43,44);2-9,11,13-14,19-20,22,30H,10,12,15-18,21H2,1H3,(H,37,38)(H,40,43,44);1-8,11-12,17-19,29H,9-10,13-16,20H2,(H,37,38)(H,40,42,43).
What are the key properties of [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 4890.36 g/mol, XLogP of 38.62, 85 rotatable bonds, 10 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[6-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzoxazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167594024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).