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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 167583852) has the molecular formula C185H171F9N24O25
and a molecular weight of 3301.53 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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]isoindole-1,3-dione.
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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]isoindole-1,3-dione (CID 167583852) 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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(N4CC(OCC#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(N4CC(OCCCOCCCOC5CC(Oc6ncc(-c7ccc8c9cnccc9n(C)c8c7)cc6C(F)(F)F)C5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCC#Cc4ccc(OC5CC(Oc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)C5)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCC(OC5CC(Oc6ncc(-c7ccc8c9cnccc9n(C)c8c7)cc6C(F)(F)F)C5)CC4)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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]isoindole-1,3-dione?
The InChIKey is HNLRBPRSLJSLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38F3N7O6.C47H41N5O6.C46H47F3N6O6.C45H45F3N6O7/c1-26-5-12-41(43(58)54-26)57-45(59)36-11-8-30(18-37(36)46(57)60)56-24-34(25-56)61-15-3-4-29-7-9-31(22-52-29)62-32-19-33(20-32)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;1-27-6-11-40(42(56)52-27)55-44(57)35-10-8-31(24-36(35)45(55)58)59-19-5-3-4-16-54-17-13-30(14-18-54)60-32-22-33(23-32)61-43-38(46(47,48)49)20-29(25-51-43)28-7-9-34-37-26-50-15-12-39(37)53(2)41(34)21-28;1-26-5-10-39(41(55)51-26)54-43(56)34-9-7-29(19-35(34)44(54)57)53-24-32(25-53)60-16-4-14-58-13-3-15-59-30-20-31(21-30)61-42-37(45(46,47)48)17-28(22-50-42)27-6-8-33-36-23-49-12-11-38(36)52(2)40(33)18-27/h6-11,13-14,16-18,21-23,32-34,41H,1,5,12,15,19-20,24-25H2,2H3,(H,54,58);9-17,19-21,23,26-28,35-36,42H,1,3-4,6,8,18,22,24-25H2,2H3,(H,50,53);7-10,12,15,20-21,24-26,30,32-33,40H,1,3-6,11,13-14,16-19,22-23H2,2H3,(H,52,56);6-9,11-12,17-19,22-23,30-32,39H,1,3-5,10,13-16,20-21,24-25H2,2H3,(H,51,55).
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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 3301.53 g/mol, XLogP of 29.26, 48 rotatable bonds, 4 hydrogen bond donors, and 41 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]hex-5-ynoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[5-[4-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypiperidin-1-yl]pentoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[3-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-[5-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynoxy]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 167583852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).