2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one

C332H304N50O39 — CID 167625142

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(OCC#Cc4cc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)ccn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC#Cc4ccnc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC#Cc4nccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4cc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)ccn4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4cccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4nccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCCOCC#Cc4ccc(OC5CC(Oc6ncc(-c7ccc8c9cnccc9n(C)c8c7)cc6C)C5)cn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C49H46N6O5.C48H43N7O6.C48H45N7O5.2C47H42N8O6.C47H44N8O5.C46H42N6O6/c1-31-8-14-45(48(56)52-31)55-30-35-24-38(11-13-41(35)49(55)57)58-22-4-6-32-5-3-7-36(23-32)54-20-17-37(18-21-54)59-39-26-40(27-39)60-47-15-10-34(28-51-47)33-9-12-42-43-29-50-19-16-44(43)53(2)46(42)25-33;1-29-5-11-43(46(56)52-29)55-47(57)39-10-8-35(26-40(39)48(55)58)59-21-3-4-32-23-33(13-18-50-32)54-19-15-34(16-20-54)60-36-24-37(25-36)61-45-12-7-31(27-51-45)30-6-9-38-41-28-49-17-14-42(41)53(2)44(38)22-30;1-30-5-11-44(47(56)52-30)55-29-33-22-37(8-10-40(33)48(55)57)58-21-3-4-34-24-35(13-18-50-34)54-19-15-36(16-20-54)59-38-25-39(26-38)60-46-12-7-32(27-51-46)31-6-9-41-42-28-49-17-14-43(42)53(2)45(41)23-31;1-28-5-11-41(44(56)51-28)55-45(57)37-10-8-33(25-38(37)46(55)58)59-21-3-4-31-13-18-49-47(52-31)54-19-15-32(16-20-54)60-34-23-35(24-34)61-43-12-7-30(26-50-43)29-6-9-36-39-27-48-17-14-40(39)53(2)42(36)22-29;1-28-5-11-40(45(56)51-28)55-46(57)36-10-8-32(25-37(36)47(55)58)59-21-3-4-42-49-18-14-43(52-42)54-19-15-31(16-20-54)60-33-23-34(24-33)61-44-12-7-30(26-50-44)29-6-9-35-38-27-48-17-13-39(38)53(2)41(35)22-29;1-29-5-11-41(46(56)51-29)55-28-32-22-34(8-10-37(32)47(55)57)58-21-3-4-43-49-18-14-44(52-43)54-19-15-33(16-20-54)59-35-24-36(25-35)60-45-12-7-31(26-50-45)30-6-9-38-39-27-48-17-13-40(39)53(2)42(38)23-30;1-28-19-31(30-7-11-39-40-26-47-15-14-41(40)51(3)43(39)21-30)24-49-45(28)58-37-22-36(23-37)57-35-9-8-33(48-25-35)5-4-16-55-17-18-56-34-10-12-38-32(20-34)27-52(46(38)54)42-13-6-29(2)50-44(42)53/h3,5,7,9-13,15-16,19,23-25,28-29,37,39-40,45H,1,8,14,17-18,20-22,26-27,30H2,2H3,(H,52,56);6-10,12-14,17-18,22-23,26-28,34,36-37,43H,1,5,11,15-16,19-21,24-25H2,2H3,(H,52,56);6-10,12-14,17-18,22-24,27-28,36,38-39,44H,1,5,11,15-16,19-21,25-26,29H2,2H3,(H,52,56);6-10,12-14,17-18,22,25-27,32,34-35,41H,1,5,11,15-16,19-21,23-24H2,2H3,(H,51,56);6-10,12-14,17-18,22,25-27,31,33-34,40H,1,5,11,15-16,19-21,23-24H2,2H3,(H,51,56);6-10,12-14,17-18,22-23,26-27,33,35-36,41H,1,5,11,15-16,19-21,24-25,28H2,2H3,(H,51,56);7-12,14-15,19-21,24-26,36-37,42H,2,6,13,16-18,22-23,27H2,1,3H3,(H,50,53)
InChIKeyMZNZCUYSJCSJCF-UHFFFAOYSA-N
MW5618.40 g/mol
LogP46.13
Rot. Bonds65

About 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one (PubChem CID 167625142) has the molecular formula C332H304N50O39 and a molecular weight of 5618.40 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one
PubChem CID167625142
Molecular FormulaC332H304N50O39
Molecular Weight5618.40 g/mol
Exact Mass5614.33
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(OCC#Cc4cc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)ccn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC#Cc4ccnc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC#Cc4nccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4cc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)ccn4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4cccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4nccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCCOCC#Cc4ccc(OC5CC(Oc6ncc(-c7ccc8c9cnccc9n(C)c8c7)cc6C)C5)cn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C49H46N6O5.C48H43N7O6.C48H45N7O5.2C47H42N8O6.C47H44N8O5.C46H42N6O6/c1-31-8-14-45(48(56)52-31)55-30-35-24-38(11-13-41(35)49(55)57)58-22-4-6-32-5-3-7-36(23-32)54-20-17-37(18-21-54)59-39-26-40(27-39)60-47-15-10-34(28-51-47)33-9-12-42-43-29-50-19-16-44(43)53(2)46(42)25-33;1-29-5-11-43(46(56)52-29)55-47(57)39-10-8-35(26-40(39)48(55)58)59-21-3-4-32-23-33(13-18-50-32)54-19-15-34(16-20-54)60-36-24-37(25-36)61-45-12-7-31(27-51-45)30-6-9-38-41-28-49-17-14-42(41)53(2)44(38)22-30;1-30-5-11-44(47(56)52-30)55-29-33-22-37(8-10-40(33)48(55)57)58-21-3-4-34-24-35(13-18-50-34)54-19-15-36(16-20-54)59-38-25-39(26-38)60-46-12-7-32(27-51-46)31-6-9-41-42-28-49-17-14-43(42)53(2)45(41)23-31;1-28-5-11-41(44(56)51-28)55-45(57)37-10-8-33(25-38(37)46(55)58)59-21-3-4-31-13-18-49-47(52-31)54-19-15-32(16-20-54)60-34-23-35(24-34)61-43-12-7-30(26-50-43)29-6-9-36-39-27-48-17-14-40(39)53(2)42(36)22-29;1-28-5-11-40(45(56)51-28)55-46(57)36-10-8-32(25-37(36)47(55)58)59-21-3-4-42-49-18-14-43(52-42)54-19-15-31(16-20-54)60-33-23-34(24-33)61-44-12-7-30(26-50-44)29-6-9-35-38-27-48-17-13-39(38)53(2)41(35)22-29;1-29-5-11-41(46(56)51-29)55-28-32-22-34(8-10-37(32)47(55)57)58-21-3-4-43-49-18-14-44(52-43)54-19-15-33(16-20-54)59-35-24-36(25-35)60-45-12-7-31(26-50-45)30-6-9-38-39-27-48-17-13-40(39)53(2)42(38)23-30;1-28-19-31(30-7-11-39-40-26-47-15-14-41(40)51(3)43(39)21-30)24-49-45(28)58-37-22-36(23-37)57-35-9-8-33(48-25-35)5-4-16-55-17-18-56-34-10-12-38-32(20-34)27-52(46(38)54)42-13-6-29(2)50-44(42)53/h3,5,7,9-13,15-16,19,23-25,28-29,37,39-40,45H,1,8,14,17-18,20-22,26-27,30H2,2H3,(H,52,56);6-10,12-14,17-18,22-23,26-28,34,36-37,43H,1,5,11,15-16,19-21,24-25H2,2H3,(H,52,56);6-10,12-14,17-18,22-24,27-28,36,38-39,44H,1,5,11,15-16,19-21,25-26,29H2,2H3,(H,52,56);6-10,12-14,17-18,22,25-27,32,34-35,41H,1,5,11,15-16,19-21,23-24H2,2H3,(H,51,56);6-10,12-14,17-18,22,25-27,31,33-34,40H,1,5,11,15-16,19-21,23-24H2,2H3,(H,51,56);6-10,12-14,17-18,22-23,26-27,33,35-36,41H,1,5,11,15-16,19-21,24-25,28H2,2H3,(H,51,56);7-12,14-15,19-21,24-26,36-37,42H,2,6,13,16-18,22-23,27H2,1,3H3,(H,50,53)
InChIKeyMZNZCUYSJCSJCF-UHFFFAOYSA-N
XLogP46.13
TPSA950.56 Ų
H-Bond Donors7
H-Bond Acceptors75
Rotatable Bonds65
Heavy Atoms421
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005618.40
LogP ≤ 546.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1075

Analyze 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one?
The IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one (CID 167625142) is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one.
What is the SMILES notation for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one?
The canonical SMILES for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one is C=C1CCC(N2C(=O)c3ccc(OCC#Cc4cc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)ccn4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC#Cc4ccnc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCC#Cc4nccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4cc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)ccn4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4cccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC#Cc4nccc(N5CCC(OC6CC(Oc7ccc(-c8ccc9c%10cnccc%10n(C)c9c8)cn7)C6)CC5)n4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCCOCC#Cc4ccc(OC5CC(Oc6ncc(-c7ccc8c9cnccc9n(C)c8c7)cc6C)C5)cn4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one?
The InChIKey is MZNZCUYSJCSJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H46N6O5.C48H43N7O6.C48H45N7O5.2C47H42N8O6.C47H44N8O5.C46H42N6O6/c1-31-8-14-45(48(56)52-31)55-30-35-24-38(11-13-41(35)49(55)57)58-22-4-6-32-5-3-7-36(23-32)54-20-17-37(18-21-54)59-39-26-40(27-39)60-47-15-10-34(28-51-47)33-9-12-42-43-29-50-19-16-44(43)53(2)46(42)25-33;1-29-5-11-43(46(56)52-29)55-47(57)39-10-8-35(26-40(39)48(55)58)59-21-3-4-32-23-33(13-18-50-32)54-19-15-34(16-20-54)60-36-24-37(25-36)61-45-12-7-31(27-51-45)30-6-9-38-41-28-49-17-14-42(41)53(2)44(38)22-30;1-30-5-11-44(47(56)52-30)55-29-33-22-37(8-10-40(33)48(55)57)58-21-3-4-34-24-35(13-18-50-34)54-19-15-36(16-20-54)59-38-25-39(26-38)60-46-12-7-32(27-51-46)31-6-9-41-42-28-49-17-14-43(42)53(2)45(41)23-31;1-28-5-11-41(44(56)51-28)55-45(57)37-10-8-33(25-38(37)46(55)58)59-21-3-4-31-13-18-49-47(52-31)54-19-15-32(16-20-54)60-34-23-35(24-34)61-43-12-7-30(26-50-43)29-6-9-36-39-27-48-17-14-40(39)53(2)42(36)22-29;1-28-5-11-40(45(56)51-28)55-46(57)36-10-8-32(25-37(36)47(55)58)59-21-3-4-42-49-18-14-43(52-42)54-19-15-31(16-20-54)60-33-23-34(24-33)61-44-12-7-30(26-50-44)29-6-9-35-38-27-48-17-13-39(38)53(2)41(35)22-29;1-29-5-11-41(46(56)51-29)55-28-32-22-34(8-10-37(32)47(55)57)58-21-3-4-43-49-18-14-44(52-43)54-19-15-33(16-20-54)59-35-24-36(25-35)60-45-12-7-31(26-50-45)30-6-9-38-39-27-48-17-13-40(39)53(2)42(38)23-30;1-28-19-31(30-7-11-39-40-26-47-15-14-41(40)51(3)43(39)21-30)24-49-45(28)58-37-22-36(23-37)57-35-9-8-33(48-25-35)5-4-16-55-17-18-56-34-10-12-38-32(20-34)27-52(46(38)54)42-13-6-29(2)50-44(42)53/h3,5,7,9-13,15-16,19,23-25,28-29,37,39-40,45H,1,8,14,17-18,20-22,26-27,30H2,2H3,(H,52,56);6-10,12-14,17-18,22-23,26-28,34,36-37,43H,1,5,11,15-16,19-21,24-25H2,2H3,(H,52,56);6-10,12-14,17-18,22-24,27-28,36,38-39,44H,1,5,11,15-16,19-21,25-26,29H2,2H3,(H,52,56);6-10,12-14,17-18,22,25-27,32,34-35,41H,1,5,11,15-16,19-21,23-24H2,2H3,(H,51,56);6-10,12-14,17-18,22,25-27,31,33-34,40H,1,5,11,15-16,19-21,23-24H2,2H3,(H,51,56);6-10,12-14,17-18,22-23,26-27,33,35-36,41H,1,5,11,15-16,19-21,24-25,28H2,2H3,(H,51,56);7-12,14-15,19-21,24-26,36-37,42H,2,6,13,16-18,22-23,27H2,1,3H3,(H,50,53).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one?
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one has a molecular weight of 5618.40 g/mol, XLogP of 46.13, 65 rotatable bonds, 7 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[3-[5-[3-[[3-methyl-5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]ethoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]phenyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]-2-pyridinyl]prop-2-ynoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-4-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[4-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pyrimidin-2-yl]prop-2-ynoxy]-3H-isoindol-1-one is sourced from PubChem (CID 167625142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).