3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C270H264F2N38O38S5 — CID 167534264

IUPAC3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCN(C)c1ccc(-c2ccc(-c3cn4cc(OCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)ccc4n3)cc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3cn4cc(OCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)ccc4n3)cc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCN5C(=O)CCC(N6Cc7c(N)cccc7C6=O)C5=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCN5C(=O)CCC(N6Cc7cc(O)ccc7C6=O)C5=O)cc4s3)cc2)cn1.Cc1cc(-c2ccc(N(C)C)nc2)ccc1-c1nc2ccc(CCCOCCOc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1
InChIInChI=1S/C41H41N5O7S.C39H37N5O6S.C39H39N5O5S.C38H37FN6O5.C38H38N6O4S.C38H37N5O5S.C37H35FN6O6/c1-45(2)37-13-8-29(24-42-37)27-4-6-28(7-5-27)40-43-34-11-3-26(22-36(34)54-40)21-31(47)15-16-51-17-18-52-19-20-53-32-9-10-33-30(23-32)25-46(41(33)50)35-12-14-38(48)44-39(35)49;1-43(2)35-13-8-27(22-40-35)25-4-6-26(7-5-25)38-41-32-11-3-24(20-34(32)51-38)19-29(45)15-16-49-17-18-50-30-9-10-31-28(21-30)23-44(39(31)48)33-12-14-36(46)42-37(33)47;1-24-19-26(27-8-14-35(40-22-27)43(2)3)7-10-30(24)38-41-32-12-6-25(20-34(32)50-38)5-4-16-48-17-18-49-29-9-11-31-28(21-29)23-44(39(31)47)33-13-15-36(45)42-37(33)46;1-43(2)33-16-13-29(36(39)41-33)24-6-8-25(9-7-24)31-23-44-22-28(11-15-34(44)40-31)50-19-5-3-4-18-49-27-10-12-30-26(20-27)21-45(38(30)48)32-14-17-35(46)42-37(32)47;1-42(2)34-16-13-27(22-40-34)25-9-11-26(12-10-25)36-41-31-14-8-24(21-33(31)49-36)5-4-19-48-20-18-43-35(45)17-15-32(38(43)47)44-23-29-28(37(44)46)6-3-7-30(29)39;1-41(2)34-15-10-27(22-39-34)25-6-8-26(9-7-25)36-40-31-13-5-24(20-33(31)49-36)4-3-18-48-19-17-42-35(45)16-14-32(38(42)47)43-23-28-21-29(44)11-12-30(28)37(43)46;1-42(2)32-13-10-28(35(38)40-32)23-3-5-24(6-4-23)30-22-43-21-27(8-12-33(43)39-30)50-18-16-48-15-17-49-26-7-9-29-25(19-26)20-44(37(29)47)31-11-14-34(45)41-36(31)46/h3-11,13,22-24,35H,12,14-21,25H2,1-2H3,(H,44,48,49);3-11,13,20-22,33H,12,14-19,23H2,1-2H3,(H,42,46,47);6-12,14,19-22,33H,4-5,13,15-18,23H2,1-3H3,(H,42,45,46);6-13,15-16,20,22-23,32H,3-5,14,17-19,21H2,1-2H3,(H,42,46,47);3,6-14,16,21-22,32H,4-5,15,17-20,23,39H2,1-2H3;5-13,15,20-22,32,44H,3-4,14,16-19,23H2,1-2H3;3-10,12-13,19,21-22,31H,11,14-18,20H2,1-2H3,(H,41,45,46)
InChIKeyAJGXSANVFBXZLR-UHFFFAOYSA-N
MW4847.64 g/mol
LogP38.98
Rot. Bonds87

About 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 167534264) has the molecular formula C270H264F2N38O38S5 and a molecular weight of 4847.64 g/mol. Its IUPAC name is 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID167534264
Molecular FormulaC270H264F2N38O38S5
Molecular Weight4847.64 g/mol
Exact Mass4843.85
IUPAC Name3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCN(C)c1ccc(-c2ccc(-c3cn4cc(OCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)ccc4n3)cc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3cn4cc(OCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)ccc4n3)cc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCN5C(=O)CCC(N6Cc7c(N)cccc7C6=O)C5=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCN5C(=O)CCC(N6Cc7cc(O)ccc7C6=O)C5=O)cc4s3)cc2)cn1.Cc1cc(-c2ccc(N(C)C)nc2)ccc1-c1nc2ccc(CCCOCCOc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1
InChIInChI=1S/C41H41N5O7S.C39H37N5O6S.C39H39N5O5S.C38H37FN6O5.C38H38N6O4S.C38H37N5O5S.C37H35FN6O6/c1-45(2)37-13-8-29(24-42-37)27-4-6-28(7-5-27)40-43-34-11-3-26(22-36(34)54-40)21-31(47)15-16-51-17-18-52-19-20-53-32-9-10-33-30(23-32)25-46(41(33)50)35-12-14-38(48)44-39(35)49;1-43(2)35-13-8-27(22-40-35)25-4-6-26(7-5-25)38-41-32-11-3-24(20-34(32)51-38)19-29(45)15-16-49-17-18-50-30-9-10-31-28(21-30)23-44(39(31)48)33-12-14-36(46)42-37(33)47;1-24-19-26(27-8-14-35(40-22-27)43(2)3)7-10-30(24)38-41-32-12-6-25(20-34(32)50-38)5-4-16-48-17-18-49-29-9-11-31-28(21-29)23-44(39(31)47)33-13-15-36(45)42-37(33)46;1-43(2)33-16-13-29(36(39)41-33)24-6-8-25(9-7-24)31-23-44-22-28(11-15-34(44)40-31)50-19-5-3-4-18-49-27-10-12-30-26(20-27)21-45(38(30)48)32-14-17-35(46)42-37(32)47;1-42(2)34-16-13-27(22-40-34)25-9-11-26(12-10-25)36-41-31-14-8-24(21-33(31)49-36)5-4-19-48-20-18-43-35(45)17-15-32(38(43)47)44-23-29-28(37(44)46)6-3-7-30(29)39;1-41(2)34-15-10-27(22-39-34)25-6-8-26(9-7-25)36-40-31-13-5-24(20-33(31)49-36)4-3-18-48-19-17-42-35(45)16-14-32(38(42)47)43-23-28-21-29(44)11-12-30(28)37(43)46;1-42(2)32-13-10-28(35(38)40-32)23-3-5-24(6-4-23)30-22-43-21-27(8-12-33(43)39-30)50-18-16-48-15-17-49-26-7-9-29-25(19-26)20-44(37(29)47)31-11-14-34(45)41-36(31)46/h3-11,13,22-24,35H,12,14-21,25H2,1-2H3,(H,44,48,49);3-11,13,20-22,33H,12,14-19,23H2,1-2H3,(H,42,46,47);6-12,14,19-22,33H,4-5,13,15-18,23H2,1-3H3,(H,42,45,46);6-13,15-16,20,22-23,32H,3-5,14,17-19,21H2,1-2H3,(H,42,46,47);3,6-14,16,21-22,32H,4-5,15,17-20,23,39H2,1-2H3;5-13,15,20-22,32,44H,3-4,14,16-19,23H2,1-2H3;3-10,12-13,19,21-22,31H,11,14-18,20H2,1-2H3,(H,41,45,46)
InChIKeyAJGXSANVFBXZLR-UHFFFAOYSA-N
XLogP38.98
TPSA869.35 Ų
H-Bond Donors7
H-Bond Acceptors67
Rotatable Bonds87
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004847.64
LogP ≤ 538.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1067

Analyze 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-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 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 167534264) is 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is CN(C)c1ccc(-c2ccc(-c3cn4cc(OCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)ccc4n3)cc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3cn4cc(OCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)ccc4n3)cc2)c(F)n1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCN5C(=O)CCC(N6Cc7c(N)cccc7C6=O)C5=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCN5C(=O)CCC(N6Cc7cc(O)ccc7C6=O)C5=O)cc4s3)cc2)cn1.Cc1cc(-c2ccc(N(C)C)nc2)ccc1-c1nc2ccc(CCCOCCOc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2s1.
What is the InChIKey of 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is AJGXSANVFBXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N5O7S.C39H37N5O6S.C39H39N5O5S.C38H37FN6O5.C38H38N6O4S.C38H37N5O5S.C37H35FN6O6/c1-45(2)37-13-8-29(24-42-37)27-4-6-28(7-5-27)40-43-34-11-3-26(22-36(34)54-40)21-31(47)15-16-51-17-18-52-19-20-53-32-9-10-33-30(23-32)25-46(41(33)50)35-12-14-38(48)44-39(35)49;1-43(2)35-13-8-27(22-40-35)25-4-6-26(7-5-25)38-41-32-11-3-24(20-34(32)51-38)19-29(45)15-16-49-17-18-50-30-9-10-31-28(21-30)23-44(39(31)48)33-12-14-36(46)42-37(33)47;1-24-19-26(27-8-14-35(40-22-27)43(2)3)7-10-30(24)38-41-32-12-6-25(20-34(32)50-38)5-4-16-48-17-18-49-29-9-11-31-28(21-29)23-44(39(31)47)33-13-15-36(45)42-37(33)46;1-43(2)33-16-13-29(36(39)41-33)24-6-8-25(9-7-24)31-23-44-22-28(11-15-34(44)40-31)50-19-5-3-4-18-49-27-10-12-30-26(20-27)21-45(38(30)48)32-14-17-35(46)42-37(32)47;1-42(2)34-16-13-27(22-40-34)25-9-11-26(12-10-25)36-41-31-14-8-24(21-33(31)49-36)5-4-19-48-20-18-43-35(45)17-15-32(38(43)47)44-23-29-28(37(44)46)6-3-7-30(29)39;1-41(2)34-15-10-27(22-39-34)25-6-8-26(9-7-25)36-40-31-13-5-24(20-33(31)49-36)4-3-18-48-19-17-42-35(45)16-14-32(38(42)47)43-23-28-21-29(44)11-12-30(28)37(43)46;1-42(2)32-13-10-28(35(38)40-32)23-3-5-24(6-4-23)30-22-43-21-27(8-12-33(43)39-30)50-18-16-48-15-17-49-26-7-9-29-25(19-26)20-44(37(29)47)31-11-14-34(45)41-36(31)46/h3-11,13,22-24,35H,12,14-21,25H2,1-2H3,(H,44,48,49);3-11,13,20-22,33H,12,14-19,23H2,1-2H3,(H,42,46,47);6-12,14,19-22,33H,4-5,13,15-18,23H2,1-3H3,(H,42,45,46);6-13,15-16,20,22-23,32H,3-5,14,17-19,21H2,1-2H3,(H,42,46,47);3,6-14,16,21-22,32H,4-5,15,17-20,23,39H2,1-2H3;5-13,15,20-22,32,44H,3-4,14,16-19,23H2,1-2H3;3-10,12-13,19,21-22,31H,11,14-18,20H2,1-2H3,(H,41,45,46).
What are the key properties of 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 4847.64 g/mol, XLogP of 38.98, 87 rotatable bonds, 7 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]piperidine-2,6-dione;3-[6-[2-[2-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[5-[2-[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-methylphenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;1-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethyl]-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 167534264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).