2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C273H249F6N35O39 — CID 167533905

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(OC4CN(CC#Cc5ccc(OC6CC(Oc7ncc(-c8ccc9c%10cnccc%10n(C)c9c8)cc7C(F)(F)F)C6)cn5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCC#Cc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCC#Cc4ccc(OCCCOc5ccc(-c6ccc7c8cnccc8n(C)c7c6)cn5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)c(C(F)(F)F)n4)cc3C2=O)C(=O)N1
InChIInChI=1S/C47H38F3N7O6.C47H45N5O6.C46H44N6O6.C46H40N6O6.C45H40N6O6.C42H42F3N5O9/c1-26-5-12-41(43(58)54-26)57-45(59)36-11-9-30(20-37(36)46(57)60)61-34-24-56(25-34)15-3-4-29-7-8-31(22-52-29)62-32-18-33(19-32)63-44-39(47(48,49)50)16-28(21-53-44)27-6-10-35-38-23-51-14-13-40(38)55(2)42(35)17-27;1-29-8-18-42(45(53)50-29)52-46(54)38-17-15-34(26-39(38)47(52)55)56-22-6-4-3-5-7-30-9-13-33(14-10-30)57-35-24-36(25-35)58-44-19-12-32(27-49-44)31-11-16-37-40-28-48-21-20-41(40)51(2)43(37)23-31;2*1-28-8-15-40(44(53)50-28)52-45(54)36-14-12-32(24-37(36)46(52)55)56-20-6-4-3-5-7-29-9-16-42(48-25-29)57-33-22-34(23-33)58-43-17-11-31(26-49-43)30-10-13-35-38-27-47-19-18-39(38)51(2)41(35)21-30;1-29-9-16-39(43(52)49-29)51-44(53)35-15-13-33(25-36(35)45(51)54)55-21-6-4-3-5-8-30-10-17-41(47-26-30)56-22-7-23-57-42-18-12-32(27-48-42)31-11-14-34-37-28-46-20-19-38(37)50(2)40(34)24-31;1-26-3-9-35(39(51)47-26)50-40(52)31-7-5-28(24-32(31)41(50)53)58-21-19-56-17-15-54-13-14-55-16-18-57-20-22-59-37-10-8-29(38(48-37)42(43,44)45)27-4-6-30-33-25-46-12-11-34(33)49(2)36(30)23-27/h6-11,13-14,16-17,20-23,32-34,41H,1,5,12,15,18-19,24-25H2,2H3,(H,54,58);9-17,19-21,23,26-28,35-36,42H,1,3-8,18,22,24-25H2,2H3,(H,50,53);9-14,16-19,21,24-27,33-34,40H,1,3-8,15,20,22-23H2,2H3,(H,50,53);9-14,16-19,21,24-27,33-34,40H,1,3-4,6,8,15,20,22-23H2,2H3,(H,50,53);10-15,17-20,24-28,39H,1,3-4,6-7,9,16,21-23H2,2H3,(H,49,52);4-8,10-12,23-25,35H,1,3,9,13-22H2,2H3,(H,47,51)
InChIKeyAIFBNKIEZAMKQH-UHFFFAOYSA-N
MW4758.19 g/mol
LogP42.69
Rot. Bonds80

About 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 167533905) has the molecular formula C273H249F6N35O39 and a molecular weight of 4758.19 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID167533905
Molecular FormulaC273H249F6N35O39
Molecular Weight4758.19 g/mol
Exact Mass4754.85
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(OC4CN(CC#Cc5ccc(OC6CC(Oc7ncc(-c8ccc9c%10cnccc%10n(C)c9c8)cc7C(F)(F)F)C6)cn5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCC#Cc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCC#Cc4ccc(OCCCOc5ccc(-c6ccc7c8cnccc8n(C)c7c6)cn5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)c(C(F)(F)F)n4)cc3C2=O)C(=O)N1
InChIInChI=1S/C47H38F3N7O6.C47H45N5O6.C46H44N6O6.C46H40N6O6.C45H40N6O6.C42H42F3N5O9/c1-26-5-12-41(43(58)54-26)57-45(59)36-11-9-30(20-37(36)46(57)60)61-34-24-56(25-34)15-3-4-29-7-8-31(22-52-29)62-32-18-33(19-32)63-44-39(47(48,49)50)16-28(21-53-44)27-6-10-35-38-23-51-14-13-40(38)55(2)42(35)17-27;1-29-8-18-42(45(53)50-29)52-46(54)38-17-15-34(26-39(38)47(52)55)56-22-6-4-3-5-7-30-9-13-33(14-10-30)57-35-24-36(25-35)58-44-19-12-32(27-49-44)31-11-16-37-40-28-48-21-20-41(40)51(2)43(37)23-31;2*1-28-8-15-40(44(53)50-28)52-45(54)36-14-12-32(24-37(36)46(52)55)56-20-6-4-3-5-7-29-9-16-42(48-25-29)57-33-22-34(23-33)58-43-17-11-31(26-49-43)30-10-13-35-38-27-47-19-18-39(38)51(2)41(35)21-30;1-29-9-16-39(43(52)49-29)51-44(53)35-15-13-33(25-36(35)45(51)54)55-21-6-4-3-5-8-30-10-17-41(47-26-30)56-22-7-23-57-42-18-12-32(27-48-42)31-11-14-34-37-28-46-20-19-38(37)50(2)40(34)24-31;1-26-3-9-35(39(51)47-26)50-40(52)31-7-5-28(24-32(31)41(50)53)58-21-19-56-17-15-54-13-14-55-16-18-57-20-22-59-37-10-8-29(38(48-37)42(43,44)45)27-4-6-30-33-25-46-12-11-34(33)49(2)36(30)23-27/h6-11,13-14,16-17,20-23,32-34,41H,1,5,12,15,18-19,24-25H2,2H3,(H,54,58);9-17,19-21,23,26-28,35-36,42H,1,3-8,18,22,24-25H2,2H3,(H,50,53);9-14,16-19,21,24-27,33-34,40H,1,3-8,15,20,22-23H2,2H3,(H,50,53);9-14,16-19,21,24-27,33-34,40H,1,3-4,6,8,15,20,22-23H2,2H3,(H,50,53);10-15,17-20,24-28,39H,1,3-4,6-7,9,16,21-23H2,2H3,(H,49,52);4-8,10-12,23-25,35H,1,3,9,13-22H2,2H3,(H,47,51)
InChIKeyAIFBNKIEZAMKQH-UHFFFAOYSA-N
XLogP42.69
TPSA831.77 Ų
H-Bond Donors6
H-Bond Acceptors62
Rotatable Bonds80
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004758.19
LogP ≤ 542.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1062

Analyze 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-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-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-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-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 167533905) is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-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-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-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-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(OC4CN(CC#Cc5ccc(OC6CC(Oc7ncc(-c8ccc9c%10cnccc%10n(C)c9c8)cc7C(F)(F)F)C6)cn5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCC#Cc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCC#Cc4ccc(OCCCOc5ccc(-c6ccc7c8cnccc8n(C)c7c6)cn5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCCc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccc6c7cnccc7n(C)c6c5)c(C(F)(F)F)n4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is AIFBNKIEZAMKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38F3N7O6.C47H45N5O6.C46H44N6O6.C46H40N6O6.C45H40N6O6.C42H42F3N5O9/c1-26-5-12-41(43(58)54-26)57-45(59)36-11-9-30(20-37(36)46(57)60)61-34-24-56(25-34)15-3-4-29-7-8-31(22-52-29)62-32-18-33(19-32)63-44-39(47(48,49)50)16-28(21-53-44)27-6-10-35-38-23-51-14-13-40(38)55(2)42(35)17-27;1-29-8-18-42(45(53)50-29)52-46(54)38-17-15-34(26-39(38)47(52)55)56-22-6-4-3-5-7-30-9-13-33(14-10-30)57-35-24-36(25-35)58-44-19-12-32(27-49-44)31-11-16-37-40-28-48-21-20-41(40)51(2)43(37)23-31;2*1-28-8-15-40(44(53)50-28)52-45(54)36-14-12-32(24-37(36)46(52)55)56-20-6-4-3-5-7-29-9-16-42(48-25-29)57-33-22-34(23-33)58-43-17-11-31(26-49-43)30-10-13-35-38-27-47-19-18-39(38)51(2)41(35)21-30;1-29-9-16-39(43(52)49-29)51-44(53)35-15-13-33(25-36(35)45(51)54)55-21-6-4-3-5-8-30-10-17-41(47-26-30)56-22-7-23-57-42-18-12-32(27-48-42)31-11-14-34-37-28-46-20-19-38(37)50(2)40(34)24-31;1-26-3-9-35(39(51)47-26)50-40(52)31-7-5-28(24-32(31)41(50)53)58-21-19-56-17-15-54-13-14-55-16-18-57-20-22-59-37-10-8-29(38(48-37)42(43,44)45)27-4-6-30-33-25-46-12-11-34(33)49(2)36(30)23-27/h6-11,13-14,16-17,20-23,32-34,41H,1,5,12,15,18-19,24-25H2,2H3,(H,54,58);9-17,19-21,23,26-28,35-36,42H,1,3-8,18,22,24-25H2,2H3,(H,50,53);9-14,16-19,21,24-27,33-34,40H,1,3-8,15,20,22-23H2,2H3,(H,50,53);9-14,16-19,21,24-27,33-34,40H,1,3-4,6,8,15,20,22-23H2,2H3,(H,50,53);10-15,17-20,24-28,39H,1,3-4,6-7,9,16,21-23H2,2H3,(H,49,52);4-8,10-12,23-25,35H,1,3,9,13-22H2,2H3,(H,47,51).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 4758.19 g/mol, XLogP of 42.69, 80 rotatable bonds, 6 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyphenyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hexoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxy-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[6-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]propoxy]-3-pyridinyl]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]azetidin-3-yl]oxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 167533905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).