2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione

C248H261N41O42 — CID 167693759

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCC(=O)N4CCN(c5ccn6c(n5)nc5ccccc56)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCCOc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCCOc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C45H44N8O5.C44H42N8O6.C41H44N6O8.C40H44N6O7.C40H43N5O8.C38H44N8O8/c1-29-8-14-39(43(54)49-29)53-44(55)35-6-2-7-40(42(35)45(53)56)58-24-4-23-57-33-12-15-41(48-27-33)52-21-19-51(20-22-52)18-3-5-32-11-9-31(26-47-32)30-10-13-34-36-28-46-17-16-37(36)50-38(34)25-30;1-28-6-11-37(42(53)48-28)52-43(54)33-4-2-5-38(41(33)44(52)55)57-22-3-21-56-31-9-12-39(46-26-31)51-18-16-50(17-19-51)20-23-58-40-13-8-30(25-47-40)29-7-10-32-34-27-45-15-14-35(34)49-36(32)24-29;1-27-6-10-35(39(48)45-27)47-40(49)31-4-3-5-33(38(31)41(47)50)43-14-15-51-16-17-52-18-19-53-20-21-54-22-23-55-37-11-8-29(25-44-37)28-7-9-30-32-26-42-13-12-34(32)46(2)36(30)24-28;1-27-5-9-37(39(47)44-27)46-26-33-31(40(46)48)3-2-4-34(33)42-13-14-49-15-16-50-17-18-51-19-20-52-21-22-53-38-10-7-29(24-43-38)28-6-8-30-32-25-41-12-11-35(32)45-36(30)23-28;1-27-5-9-36(39(46)43-27)45-26-33-31(40(45)47)3-2-4-37(33)52-21-19-50-17-15-48-13-14-49-16-18-51-20-22-53-38-10-7-29(24-42-38)28-6-8-30-32-25-41-12-11-34(32)44-35(30)23-28;1-26-9-10-31(35(48)40-26)46-36(49)27-5-4-7-29(34(27)37(46)50)39-12-18-51-19-20-52-21-22-53-23-24-54-25-33(47)44-16-14-43(15-17-44)32-11-13-45-30-8-3-2-6-28(30)41-38(45)42-32/h2,6-7,9-13,15-17,25-28,39,50H,1,3-5,8,14,18-24H2,(H,49,54);2,4-5,7-10,12-15,24-27,37,49H,1,3,6,11,16-23H2,(H,48,53);3-5,7-9,11-13,24-26,35,43H,1,6,10,14-23H2,2H3,(H,45,48);2-4,6-8,10-12,23-25,37,42,45H,1,5,9,13-22,26H2,(H,44,47);2-4,6-8,10-12,23-25,36,44H,1,5,9,13-22,26H2,(H,43,46);2-8,11,13,31,39H,1,9-10,12,14-25H2,(H,40,48)
InChIKeyXINBMQJTBVXLIF-UHFFFAOYSA-N
MW4488.06 g/mol
LogP28.74
Rot. Bonds100

About 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione

2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione (PubChem CID 167693759) has the molecular formula C248H261N41O42 and a molecular weight of 4488.06 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione
PubChem CID167693759
Molecular FormulaC248H261N41O42
Molecular Weight4488.06 g/mol
Exact Mass4484.95
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCC(=O)N4CCN(c5ccn6c(n5)nc5ccccc56)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCCOc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCCOc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C45H44N8O5.C44H42N8O6.C41H44N6O8.C40H44N6O7.C40H43N5O8.C38H44N8O8/c1-29-8-14-39(43(54)49-29)53-44(55)35-6-2-7-40(42(35)45(53)56)58-24-4-23-57-33-12-15-41(48-27-33)52-21-19-51(20-22-52)18-3-5-32-11-9-31(26-47-32)30-10-13-34-36-28-46-17-16-37(36)50-38(34)25-30;1-28-6-11-37(42(53)48-28)52-43(54)33-4-2-5-38(41(33)44(52)55)57-22-3-21-56-31-9-12-39(46-26-31)51-18-16-50(17-19-51)20-23-58-40-13-8-30(25-47-40)29-7-10-32-34-27-45-15-14-35(34)49-36(32)24-29;1-27-6-10-35(39(48)45-27)47-40(49)31-4-3-5-33(38(31)41(47)50)43-14-15-51-16-17-52-18-19-53-20-21-54-22-23-55-37-11-8-29(25-44-37)28-7-9-30-32-26-42-13-12-34(32)46(2)36(30)24-28;1-27-5-9-37(39(47)44-27)46-26-33-31(40(46)48)3-2-4-34(33)42-13-14-49-15-16-50-17-18-51-19-20-52-21-22-53-38-10-7-29(24-43-38)28-6-8-30-32-25-41-12-11-35(32)45-36(30)23-28;1-27-5-9-36(39(46)43-27)45-26-33-31(40(45)47)3-2-4-37(33)52-21-19-50-17-15-48-13-14-49-16-18-51-20-22-53-38-10-7-29(24-42-38)28-6-8-30-32-25-41-12-11-34(32)44-35(30)23-28;1-26-9-10-31(35(48)40-26)46-36(49)27-5-4-7-29(34(27)37(46)50)39-12-18-51-19-20-52-21-22-53-23-24-54-25-33(47)44-16-14-43(15-17-44)32-11-13-45-30-8-3-2-6-28(30)41-38(45)42-32/h2,6-7,9-13,15-17,25-28,39,50H,1,3-5,8,14,18-24H2,(H,49,54);2,4-5,7-10,12-15,24-27,37,49H,1,3,6,11,16-23H2,(H,48,53);3-5,7-9,11-13,24-26,35,43H,1,6,10,14-23H2,2H3,(H,45,48);2-4,6-8,10-12,23-25,37,42,45H,1,5,9,13-22,26H2,(H,44,47);2-4,6-8,10-12,23-25,36,44H,1,5,9,13-22,26H2,(H,43,46);2-8,11,13,31,39H,1,9-10,12,14-25H2,(H,40,48)
InChIKeyXINBMQJTBVXLIF-UHFFFAOYSA-N
XLogP28.74
TPSA921.05 Ų
H-Bond Donors13
H-Bond Acceptors66
Rotatable Bonds100
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004488.06
LogP ≤ 528.74
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1066

Analyze 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione with MolForge

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Related Compounds

N-[2-[2-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]-2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]acetamide
CID 158595960
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 167556827
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione
CID 167669812
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione
CID 167588856
N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide
CID 162262675
2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione
CID 134481722
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-[6-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]-2-azaspiro[3.3]heptan-2-yl]butoxy]butoxy]isoindole-1,3-dione
CID 167587605
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[5-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]pentoxy]isoindole-1,3-dione
CID 167560544
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[4-[3-[2-[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propanoyl]piperazin-1-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;4-[9-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]-9-oxononoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[2-[3-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-1-methylidene-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 163798921
3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(2-oxopiperidin-3-yl)-4-[2-[2-[4-oxo-6-(5H-pyrido[4,3-b]indol-7-yl)hexoxy]ethoxy]ethylamino]isoindole-1,3-dione;5H-pyrido[4,3-b]indole
CID 157065792
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[6-methyl-5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]isoindole-1,3-dione
CID 167688620
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-oxo-6-[4-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]hexoxy]isoindole-1,3-dione
CID 167636970

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione?
The IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione (CID 167693759) is 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCC(=O)N4CCN(c5ccn6c(n5)nc5ccccc56)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCCOc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCCOc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione?
The InChIKey is XINBMQJTBVXLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N8O5.C44H42N8O6.C41H44N6O8.C40H44N6O7.C40H43N5O8.C38H44N8O8/c1-29-8-14-39(43(54)49-29)53-44(55)35-6-2-7-40(42(35)45(53)56)58-24-4-23-57-33-12-15-41(48-27-33)52-21-19-51(20-22-52)18-3-5-32-11-9-31(26-47-32)30-10-13-34-36-28-46-17-16-37(36)50-38(34)25-30;1-28-6-11-37(42(53)48-28)52-43(54)33-4-2-5-38(41(33)44(52)55)57-22-3-21-56-31-9-12-39(46-26-31)51-18-16-50(17-19-51)20-23-58-40-13-8-30(25-47-40)29-7-10-32-34-27-45-15-14-35(34)49-36(32)24-29;1-27-6-10-35(39(48)45-27)47-40(49)31-4-3-5-33(38(31)41(47)50)43-14-15-51-16-17-52-18-19-53-20-21-54-22-23-55-37-11-8-29(25-44-37)28-7-9-30-32-26-42-13-12-34(32)46(2)36(30)24-28;1-27-5-9-37(39(47)44-27)46-26-33-31(40(46)48)3-2-4-34(33)42-13-14-49-15-16-50-17-18-51-19-20-52-21-22-53-38-10-7-29(24-43-38)28-6-8-30-32-25-41-12-11-35(32)45-36(30)23-28;1-27-5-9-36(39(46)43-27)45-26-33-31(40(45)47)3-2-4-37(33)52-21-19-50-17-15-48-13-14-49-16-18-51-20-22-53-38-10-7-29(24-42-38)28-6-8-30-32-25-41-12-11-34(32)44-35(30)23-28;1-26-9-10-31(35(48)40-26)46-36(49)27-5-4-7-29(34(27)37(46)50)39-12-18-51-19-20-52-21-22-53-23-24-54-25-33(47)44-16-14-43(15-17-44)32-11-13-45-30-8-3-2-6-28(30)41-38(45)42-32/h2,6-7,9-13,15-17,25-28,39,50H,1,3-5,8,14,18-24H2,(H,49,54);2,4-5,7-10,12-15,24-27,37,49H,1,3,6,11,16-23H2,(H,48,53);3-5,7-9,11-13,24-26,35,43H,1,6,10,14-23H2,2H3,(H,45,48);2-4,6-8,10-12,23-25,37,42,45H,1,5,9,13-22,26H2,(H,44,47);2-4,6-8,10-12,23-25,36,44H,1,5,9,13-22,26H2,(H,43,46);2-8,11,13,31,39H,1,9-10,12,14-25H2,(H,40,48).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione?
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione has a molecular weight of 4488.06 g/mol, XLogP of 28.74, 100 rotatable bonds, 13 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]isoindole-1,3-dione is sourced from PubChem (CID 167693759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).