2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C258H259F3N32O46 — CID 167560542

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(OC4CC(OCCCCCOCCCCCOc5ccc(-c6ccc7c8cnccc8n(C)c7c6)cn5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCOc4cccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(CC(F)(F)F)c6c5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cnc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C47H45N5O7.C45H49N5O7.C44H40N6O6.C42H42F3N5O9.C41H43N5O8.C39H40N6O9/c1-29-10-16-42(45(53)50-29)52-46(54)38-15-13-33(26-39(38)47(52)55)57-21-6-4-3-5-20-56-32-8-7-9-34(23-32)58-35-24-36(25-35)59-44-17-12-31(27-49-44)30-11-14-37-40-28-48-19-18-41(40)51(2)43(37)22-30;1-29-9-15-40(43(51)48-29)50-44(52)36-14-12-32(26-37(36)45(50)53)57-34-24-33(25-34)55-21-7-3-5-19-54-20-6-4-8-22-56-42-16-11-31(27-47-42)30-10-13-35-38-28-46-18-17-39(38)49(2)41(35)23-30;1-26-6-14-40(42(51)48-26)50-43(52)35-13-11-30(22-36(35)44(50)53)54-18-4-2-3-5-29-9-10-31(24-46-29)55-32-20-33(21-32)56-41-15-8-28(23-47-41)27-7-12-34-37-25-45-17-16-38(37)49-39(34)19-27;1-27-2-8-36(39(51)48-27)50-40(52)32-7-5-30(23-33(32)41(50)53)58-20-18-56-16-14-54-12-13-55-15-17-57-19-21-59-38-9-4-29(24-47-38)28-3-6-31-34-25-46-11-10-35(34)49(37(31)22-28)26-42(43,44)45;1-27-5-12-37(39(47)44-27)46-40(48)32-3-2-4-35(38(32)41(46)49)43-15-16-50-17-18-51-19-20-52-21-22-53-23-24-54-30-9-6-28(7-10-30)29-8-11-31-33-26-42-14-13-34(33)45-36(31)25-29;1-25-2-6-34(37(46)43-25)45-38(47)29-21-36(42-24-31(29)39(45)48)54-19-17-52-15-13-50-11-10-49-12-14-51-16-18-53-35-7-4-27(22-41-35)26-3-5-28-30-23-40-9-8-32(30)44-33(28)20-26/h7-9,11-15,17-19,22-23,26-28,35-36,42H,1,3-6,10,16,20-21,24-25H2,2H3,(H,50,53);10-14,16-18,23,26-28,33-34,40H,1,3-9,15,19-22,24-25H2,2H3,(H,48,51);7-13,15-17,19,22-25,32-33,40,49H,1-6,14,18,20-21H2,(H,48,51);3-7,9-11,22-25,36H,1-2,8,12-21,26H2,(H,48,51);2-4,6-11,13-14,25-26,37,43,45H,1,5,12,15-24H2,(H,44,47);3-5,7-9,20-24,34,44H,1-2,6,10-19H2,(H,43,46)
InChIKeyDPFJAEIUKOMERZ-UHFFFAOYSA-N
MW4601.08 g/mol
LogP38.21
Rot. Bonds104

About 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 167560542) has the molecular formula C258H259F3N32O46 and a molecular weight of 4601.08 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID167560542
Molecular FormulaC258H259F3N32O46
Molecular Weight4601.08 g/mol
Exact Mass4597.89
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(OC4CC(OCCCCCOCCCCCOc5ccc(-c6ccc7c8cnccc8n(C)c7c6)cn5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCOc4cccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(CC(F)(F)F)c6c5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cnc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C47H45N5O7.C45H49N5O7.C44H40N6O6.C42H42F3N5O9.C41H43N5O8.C39H40N6O9/c1-29-10-16-42(45(53)50-29)52-46(54)38-15-13-33(26-39(38)47(52)55)57-21-6-4-3-5-20-56-32-8-7-9-34(23-32)58-35-24-36(25-35)59-44-17-12-31(27-49-44)30-11-14-37-40-28-48-19-18-41(40)51(2)43(37)22-30;1-29-9-15-40(43(51)48-29)50-44(52)36-14-12-32(26-37(36)45(50)53)57-34-24-33(25-34)55-21-7-3-5-19-54-20-6-4-8-22-56-42-16-11-31(27-47-42)30-10-13-35-38-28-46-18-17-39(38)49(2)41(35)23-30;1-26-6-14-40(42(51)48-26)50-43(52)35-13-11-30(22-36(35)44(50)53)54-18-4-2-3-5-29-9-10-31(24-46-29)55-32-20-33(21-32)56-41-15-8-28(23-47-41)27-7-12-34-37-25-45-17-16-38(37)49-39(34)19-27;1-27-2-8-36(39(51)48-27)50-40(52)32-7-5-30(23-33(32)41(50)53)58-20-18-56-16-14-54-12-13-55-15-17-57-19-21-59-38-9-4-29(24-47-38)28-3-6-31-34-25-46-11-10-35(34)49(37(31)22-28)26-42(43,44)45;1-27-5-12-37(39(47)44-27)46-40(48)32-3-2-4-35(38(32)41(46)49)43-15-16-50-17-18-51-19-20-52-21-22-53-23-24-54-30-9-6-28(7-10-30)29-8-11-31-33-26-42-14-13-34(33)45-36(31)25-29;1-25-2-6-34(37(46)43-25)45-38(47)29-21-36(42-24-31(29)39(45)48)54-19-17-52-15-13-50-11-10-49-12-14-51-16-18-53-35-7-4-27(22-41-35)26-3-5-28-30-23-40-9-8-32(30)44-33(28)20-26/h7-9,11-15,17-19,22-23,26-28,35-36,42H,1,3-6,10,16,20-21,24-25H2,2H3,(H,50,53);10-14,16-18,23,26-28,33-34,40H,1,3-9,15,19-22,24-25H2,2H3,(H,48,51);7-13,15-17,19,22-25,32-33,40,49H,1-6,14,18,20-21H2,(H,48,51);3-7,9-11,22-25,36H,1-2,8,12-21,26H2,(H,48,51);2-4,6-11,13-14,25-26,37,43,45H,1,5,12,15-24H2,(H,44,47);3-5,7-9,20-24,34,44H,1-2,6,10-19H2,(H,43,46)
InChIKeyDPFJAEIUKOMERZ-UHFFFAOYSA-N
XLogP38.21
TPSA899.08 Ų
H-Bond Donors10
H-Bond Acceptors63
Rotatable Bonds104
Heavy Atoms339
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004601.08
LogP ≤ 538.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1063

Analyze 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 167560542) is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(OC4CC(OCCCCCOCCCCCOc5ccc(-c6ccc7c8cnccc8n(C)c7c6)cn5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCOc4cccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(CC(F)(F)F)c6c5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cnc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is DPFJAEIUKOMERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H45N5O7.C45H49N5O7.C44H40N6O6.C42H42F3N5O9.C41H43N5O8.C39H40N6O9/c1-29-10-16-42(45(53)50-29)52-46(54)38-15-13-33(26-39(38)47(52)55)57-21-6-4-3-5-20-56-32-8-7-9-34(23-32)58-35-24-36(25-35)59-44-17-12-31(27-49-44)30-11-14-37-40-28-48-19-18-41(40)51(2)43(37)22-30;1-29-9-15-40(43(51)48-29)50-44(52)36-14-12-32(26-37(36)45(50)53)57-34-24-33(25-34)55-21-7-3-5-19-54-20-6-4-8-22-56-42-16-11-31(27-47-42)30-10-13-35-38-28-46-18-17-39(38)49(2)41(35)23-30;1-26-6-14-40(42(51)48-26)50-43(52)35-13-11-30(22-36(35)44(50)53)54-18-4-2-3-5-29-9-10-31(24-46-29)55-32-20-33(21-32)56-41-15-8-28(23-47-41)27-7-12-34-37-25-45-17-16-38(37)49-39(34)19-27;1-27-2-8-36(39(51)48-27)50-40(52)32-7-5-30(23-33(32)41(50)53)58-20-18-56-16-14-54-12-13-55-15-17-57-19-21-59-38-9-4-29(24-47-38)28-3-6-31-34-25-46-11-10-35(34)49(37(31)22-28)26-42(43,44)45;1-27-5-12-37(39(47)44-27)46-40(48)32-3-2-4-35(38(32)41(46)49)43-15-16-50-17-18-51-19-20-52-21-22-53-23-24-54-30-9-6-28(7-10-30)29-8-11-31-33-26-42-14-13-34(33)45-36(31)25-29;1-25-2-6-34(37(46)43-25)45-38(47)29-21-36(42-24-31(29)39(45)48)54-19-17-52-15-13-50-11-10-49-12-14-51-16-18-53-35-7-4-27(22-41-35)26-3-5-28-30-23-40-9-8-32(30)44-33(28)20-26/h7-9,11-15,17-19,22-23,26-28,35-36,42H,1,3-6,10,16,20-21,24-25H2,2H3,(H,50,53);10-14,16-18,23,26-28,33-34,40H,1,3-9,15,19-22,24-25H2,2H3,(H,48,51);7-13,15-17,19,22-25,32-33,40,49H,1-6,14,18,20-21H2,(H,48,51);3-7,9-11,22-25,36H,1-2,8,12-21,26H2,(H,48,51);2-4,6-11,13-14,25-26,37,43,45H,1,5,12,15-24H2,(H,44,47);3-5,7-9,20-24,34,44H,1-2,6,10-19H2,(H,43,46).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 4601.08 g/mol, XLogP of 38.21, 104 rotatable bonds, 10 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenoxy]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[5-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]pentoxy]cyclobutyl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-(5H-pyrido[4,3-b]indol-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;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;2-(6-methylidene-2-oxopiperidin-3-yl)-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyrrolo[3,4-c]pyridine-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 167560542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).