2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione

C262H280F6N40O33 — CID 167555261

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(N4CC(OCCCOCCCN5CCC(Oc6ncc(-c7ccc8c9cnccc9n(C)c8c7)cc6C(F)(F)F)CC5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OC(CCCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)C(F)(F)F)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCN4CC5(CC(N(C)C6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)C5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CC5CCN(c6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCC5CCN(c6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C47H51N7O5.C46H48F3N7O6.C43H44F3N5O8.C43H47N5O10.C42H46N8O2.C41H44N8O2/c1-29-7-13-41(44(55)50-29)54-45(56)37-12-10-34(22-38(37)46(54)57)58-18-6-4-5-17-53-27-47(28-53)23-33(24-47)51(2)32-20-35(21-32)59-43-14-9-31(25-49-43)30-8-11-36-39-26-48-16-15-40(39)52(3)42(36)19-30;1-28-5-10-40(42(57)52-28)56-44(58)35-9-7-31(23-36(35)45(56)59)55-26-33(27-55)61-20-4-19-60-18-3-15-54-16-12-32(13-17-54)62-43-38(46(47,48)49)21-30(24-51-43)29-6-8-34-37-25-50-14-11-39(37)53(2)41(34)22-29;1-27-6-12-36(40(52)49-27)51-41(53)32-11-9-30(24-33(32)42(51)54)59-38(43(44,45)46)5-3-4-16-55-17-18-56-19-20-57-21-22-58-39-13-8-29(25-48-39)28-7-10-31-34-26-47-15-14-35(34)50(2)37(31)23-28;1-29-3-9-38(41(49)46-29)48-42(50)34-8-6-32(26-35(34)43(48)51)57-23-21-55-19-17-53-15-13-52-14-16-54-18-20-56-22-24-58-40-10-5-31(27-45-40)30-4-7-33-36-28-44-12-11-37(36)47(2)39(33)25-30;1-28-3-9-38(41(51)45-28)50-27-32-23-33(6-8-34(32)42(50)52)48-21-19-47(20-22-48)16-12-29-13-17-49(18-14-29)40-10-5-31(25-44-40)30-4-7-35-36-26-43-15-11-37(36)46(2)39(35)24-30;1-27-3-9-37(40(50)44-27)49-26-31-21-32(6-8-33(31)41(49)51)47-19-17-46(18-20-47)25-28-12-15-48(16-13-28)39-10-5-30(23-43-39)29-4-7-34-35-24-42-14-11-36(35)45(2)38(34)22-29/h8-12,14-16,19,22,25-26,32-33,35,41H,1,4-7,13,17-18,20-21,23-24,27-28H2,2-3H3,(H,50,55);6-9,11,14,21-25,32-33,40H,1,3-5,10,12-13,15-20,26-27H2,2H3,(H,52,57);7-11,13-15,23-26,36,38H,1,3-6,12,16-22H2,2H3,(H,49,52);4-8,10-12,25-28,38H,1,3,9,13-24H2,2H3,(H,46,49);4-8,10-11,15,23-26,29,38H,1,3,9,12-14,16-22,27H2,2H3,(H,45,51);4-8,10-11,14,21-24,28,37H,1,3,9,12-13,15-20,25-26H2,2H3,(H,44,50)
InChIKeyCXVFAHNLAMHTOI-UHFFFAOYSA-N
MW4631.36 g/mol
LogP36.52
Rot. Bonds81

About 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione (PubChem CID 167555261) has the molecular formula C262H280F6N40O33 and a molecular weight of 4631.36 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione
PubChem CID167555261
Molecular FormulaC262H280F6N40O33
Molecular Weight4631.36 g/mol
Exact Mass4628.14
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(N4CC(OCCCOCCCN5CCC(Oc6ncc(-c7ccc8c9cnccc9n(C)c8c7)cc6C(F)(F)F)CC5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OC(CCCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)C(F)(F)F)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCN4CC5(CC(N(C)C6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)C5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CC5CCN(c6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCC5CCN(c6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C47H51N7O5.C46H48F3N7O6.C43H44F3N5O8.C43H47N5O10.C42H46N8O2.C41H44N8O2/c1-29-7-13-41(44(55)50-29)54-45(56)37-12-10-34(22-38(37)46(54)57)58-18-6-4-5-17-53-27-47(28-53)23-33(24-47)51(2)32-20-35(21-32)59-43-14-9-31(25-49-43)30-8-11-36-39-26-48-16-15-40(39)52(3)42(36)19-30;1-28-5-10-40(42(57)52-28)56-44(58)35-9-7-31(23-36(35)45(56)59)55-26-33(27-55)61-20-4-19-60-18-3-15-54-16-12-32(13-17-54)62-43-38(46(47,48)49)21-30(24-51-43)29-6-8-34-37-25-50-14-11-39(37)53(2)41(34)22-29;1-27-6-12-36(40(52)49-27)51-41(53)32-11-9-30(24-33(32)42(51)54)59-38(43(44,45)46)5-3-4-16-55-17-18-56-19-20-57-21-22-58-39-13-8-29(25-48-39)28-7-10-31-34-26-47-15-14-35(34)50(2)37(31)23-28;1-29-3-9-38(41(49)46-29)48-42(50)34-8-6-32(26-35(34)43(48)51)57-23-21-55-19-17-53-15-13-52-14-16-54-18-20-56-22-24-58-40-10-5-31(27-45-40)30-4-7-33-36-28-44-12-11-37(36)47(2)39(33)25-30;1-28-3-9-38(41(51)45-28)50-27-32-23-33(6-8-34(32)42(50)52)48-21-19-47(20-22-48)16-12-29-13-17-49(18-14-29)40-10-5-31(25-44-40)30-4-7-35-36-26-43-15-11-37(36)46(2)39(35)24-30;1-27-3-9-37(40(50)44-27)49-26-31-21-32(6-8-33(31)41(49)51)47-19-17-46(18-20-47)25-28-12-15-48(16-13-28)39-10-5-30(23-43-39)29-4-7-34-35-24-42-14-11-36(35)45(2)38(34)22-29/h8-12,14-16,19,22,25-26,32-33,35,41H,1,4-7,13,17-18,20-21,23-24,27-28H2,2-3H3,(H,50,55);6-9,11,14,21-25,32-33,40H,1,3-5,10,12-13,15-20,26-27H2,2H3,(H,52,57);7-11,13-15,23-26,36,38H,1,3-6,12,16-22H2,2H3,(H,49,52);4-8,10-12,25-28,38H,1,3,9,13-24H2,2H3,(H,46,49);4-8,10-11,15,23-26,29,38H,1,3,9,12-14,16-22,27H2,2H3,(H,45,51);4-8,10-11,14,21-24,28,37H,1,3,9,12-13,15-20,25-26H2,2H3,(H,44,50)
InChIKeyCXVFAHNLAMHTOI-UHFFFAOYSA-N
XLogP36.52
TPSA738.31 Ų
H-Bond Donors6
H-Bond Acceptors61
Rotatable Bonds81
Heavy Atoms341
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004631.36
LogP ≤ 536.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1061

Analyze 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione with MolForge

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What is the IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione (CID 167555261) is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(N4CC(OCCCOCCCN5CCC(Oc6ncc(-c7ccc8c9cnccc9n(C)c8c7)cc6C(F)(F)F)CC5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OC(CCCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)C(F)(F)F)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCN4CC5(CC(N(C)C6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)C5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)cn4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CC5CCN(c6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCC5CCN(c6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione?
The InChIKey is CXVFAHNLAMHTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51N7O5.C46H48F3N7O6.C43H44F3N5O8.C43H47N5O10.C42H46N8O2.C41H44N8O2/c1-29-7-13-41(44(55)50-29)54-45(56)37-12-10-34(22-38(37)46(54)57)58-18-6-4-5-17-53-27-47(28-53)23-33(24-47)51(2)32-20-35(21-32)59-43-14-9-31(25-49-43)30-8-11-36-39-26-48-16-15-40(39)52(3)42(36)19-30;1-28-5-10-40(42(57)52-28)56-44(58)35-9-7-31(23-36(35)45(56)59)55-26-33(27-55)61-20-4-19-60-18-3-15-54-16-12-32(13-17-54)62-43-38(46(47,48)49)21-30(24-51-43)29-6-8-34-37-25-50-14-11-39(37)53(2)41(34)22-29;1-27-6-12-36(40(52)49-27)51-41(53)32-11-9-30(24-33(32)42(51)54)59-38(43(44,45)46)5-3-4-16-55-17-18-56-19-20-57-21-22-58-39-13-8-29(25-48-39)28-7-10-31-34-26-47-15-14-35(34)50(2)37(31)23-28;1-29-3-9-38(41(49)46-29)48-42(50)34-8-6-32(26-35(34)43(48)51)57-23-21-55-19-17-53-15-13-52-14-16-54-18-20-56-22-24-58-40-10-5-31(27-45-40)30-4-7-33-36-28-44-12-11-37(36)47(2)39(33)25-30;1-28-3-9-38(41(51)45-28)50-27-32-23-33(6-8-34(32)42(50)52)48-21-19-47(20-22-48)16-12-29-13-17-49(18-14-29)40-10-5-31(25-44-40)30-4-7-35-36-26-43-15-11-37(36)46(2)39(35)24-30;1-27-3-9-37(40(50)44-27)49-26-31-21-32(6-8-33(31)41(49)51)47-19-17-46(18-20-47)25-28-12-15-48(16-13-28)39-10-5-30(23-43-39)29-4-7-34-35-24-42-14-11-36(35)45(2)38(34)22-29/h8-12,14-16,19,22,25-26,32-33,35,41H,1,4-7,13,17-18,20-21,23-24,27-28H2,2-3H3,(H,50,55);6-9,11,14,21-25,32-33,40H,1,3-5,10,12-13,15-20,26-27H2,2H3,(H,52,57);7-11,13-15,23-26,36,38H,1,3-6,12,16-22H2,2H3,(H,49,52);4-8,10-12,25-28,38H,1,3,9,13-24H2,2H3,(H,46,49);4-8,10-11,15,23-26,29,38H,1,3,9,12-14,16-22,27H2,2H3,(H,45,51);4-8,10-11,14,21-24,28,37H,1,3,9,12-13,15-20,25-26H2,2H3,(H,44,50).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione?
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione has a molecular weight of 4631.36 g/mol, XLogP of 36.52, 81 rotatable bonds, 6 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[6-[methyl-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]hexan-2-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 167555261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).