2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one

C280H282F3N45O32 — CID 167588853

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCOc4cccc(OC5CCC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cccc(CCCOCCCN5CCCC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCc4ccc(OCCCN5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C48H49F3N8O4.C48H49N7O5.C47H46N6O6.C46H46N8O6.C46H48N8O5.C45H44N8O6/c1-32-5-13-43(46(60)55-32)58-29-36-24-38(10-12-39(36)47(58)61)63-30-33-6-14-45(54-26-33)62-23-3-18-57-21-19-56(20-22-57)17-2-4-37-9-7-35(27-53-37)34-8-11-40-41-28-52-16-15-42(41)59(44(40)25-34)31-48(49,50)51;1-31-13-17-43(46(56)52-31)55-47(57)38-11-3-12-41(45(38)48(55)58)50-27-33-8-2-7-32(25-33)9-5-23-59-24-6-22-54-21-4-10-36(30-54)60-44-18-15-35(28-51-44)34-14-16-37-39-29-49-20-19-40(39)53-42(37)26-34;1-29-11-19-42(45(54)51-29)53-46(55)37-9-6-10-40(44(37)47(53)56)49-22-3-2-4-24-57-34-7-5-8-35(26-34)58-32-14-16-33(17-15-32)59-43-20-13-31(27-50-43)30-12-18-36-38-28-48-23-21-39(38)52-41(36)25-30;1-30-4-11-40(44(55)50-30)54-45(56)36-10-8-34(25-37(36)46(54)57)60-29-31-5-12-42(48-26-31)58-22-3-16-52-17-19-53(20-18-52)21-23-59-43-13-7-33(27-49-43)32-6-9-35-38-28-47-15-14-39(38)51(2)41(35)24-32;1-31-4-11-41(45(55)50-31)54-29-35-24-36(8-10-37(35)46(54)56)59-30-32-5-12-43(48-26-32)57-22-3-16-52-17-19-53(20-18-52)21-23-58-44-13-7-34(27-49-44)33-6-9-38-39-28-47-15-14-40(39)51(2)42(38)25-33;1-29-3-10-40(43(54)49-29)53-44(55)35-9-7-33(24-36(35)45(53)56)59-28-30-4-11-41(47-25-30)57-21-2-15-51-16-18-52(19-17-51)20-22-58-42-12-6-32(26-48-42)31-5-8-34-37-27-46-14-13-38(37)50-39(34)23-31/h6-12,14-16,24-28,43H,1-5,13,17-23,29-31H2,(H,55,60);2-3,7-8,11-12,14-16,18-20,25-26,28-29,36,43,50,53H,1,4-6,9-10,13,17,21-24,27,30H2,(H,52,56);5-10,12-13,18,20-21,23,25-28,32-33,42,49,52H,1-4,11,14-17,19,22,24H2,(H,51,54);5-10,12-15,24-28,40H,1,3-4,11,16-23,29H2,2H3,(H,50,55);5-10,12-15,24-28,41H,1,3-4,11,16-23,29-30H2,2H3,(H,50,55);4-9,11-14,23-27,40,50H,1-3,10,15-22,28H2,(H,49,54)
InChIKeyIDTNIEGCSDCKNK-UHFFFAOYSA-N
MW4846.61 g/mol
LogP41.01
Rot. Bonds86

About 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one (PubChem CID 167588853) has the molecular formula C280H282F3N45O32 and a molecular weight of 4846.61 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one
PubChem CID167588853
Molecular FormulaC280H282F3N45O32
Molecular Weight4846.61 g/mol
Exact Mass4843.18
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCOc4cccc(OC5CCC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cccc(CCCOCCCN5CCCC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCc4ccc(OCCCN5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C48H49F3N8O4.C48H49N7O5.C47H46N6O6.C46H46N8O6.C46H48N8O5.C45H44N8O6/c1-32-5-13-43(46(60)55-32)58-29-36-24-38(10-12-39(36)47(58)61)63-30-33-6-14-45(54-26-33)62-23-3-18-57-21-19-56(20-22-57)17-2-4-37-9-7-35(27-53-37)34-8-11-40-41-28-52-16-15-42(41)59(44(40)25-34)31-48(49,50)51;1-31-13-17-43(46(56)52-31)55-47(57)38-11-3-12-41(45(38)48(55)58)50-27-33-8-2-7-32(25-33)9-5-23-59-24-6-22-54-21-4-10-36(30-54)60-44-18-15-35(28-51-44)34-14-16-37-39-29-49-20-19-40(39)53-42(37)26-34;1-29-11-19-42(45(54)51-29)53-46(55)37-9-6-10-40(44(37)47(53)56)49-22-3-2-4-24-57-34-7-5-8-35(26-34)58-32-14-16-33(17-15-32)59-43-20-13-31(27-50-43)30-12-18-36-38-28-48-23-21-39(38)52-41(36)25-30;1-30-4-11-40(44(55)50-30)54-45(56)36-10-8-34(25-37(36)46(54)57)60-29-31-5-12-42(48-26-31)58-22-3-16-52-17-19-53(20-18-52)21-23-59-43-13-7-33(27-49-43)32-6-9-35-38-28-47-15-14-39(38)51(2)41(35)24-32;1-31-4-11-41(45(55)50-31)54-29-35-24-36(8-10-37(35)46(54)56)59-30-32-5-12-43(48-26-32)57-22-3-16-52-17-19-53(20-18-52)21-23-58-44-13-7-34(27-49-44)33-6-9-38-39-28-47-15-14-40(39)51(2)42(38)25-33;1-29-3-10-40(43(54)49-29)53-44(55)35-9-7-33(24-36(35)45(53)56)59-28-30-4-11-41(47-25-30)57-21-2-15-51-16-18-52(19-17-51)20-22-58-42-12-6-32(26-48-42)31-5-8-34-37-27-46-14-13-38(37)50-39(34)23-31/h6-12,14-16,24-28,43H,1-5,13,17-23,29-31H2,(H,55,60);2-3,7-8,11-12,14-16,18-20,25-26,28-29,36,43,50,53H,1,4-6,9-10,13,17,21-24,27,30H2,(H,52,56);5-10,12-13,18,20-21,23,25-28,32-33,42,49,52H,1-4,11,14-17,19,22,24H2,(H,51,54);5-10,12-15,24-28,40H,1,3-4,11,16-23,29H2,2H3,(H,50,55);5-10,12-15,24-28,41H,1,3-4,11,16-23,29-30H2,2H3,(H,50,55);4-9,11-14,23-27,40,50H,1-3,10,15-22,28H2,(H,49,54)
InChIKeyIDTNIEGCSDCKNK-UHFFFAOYSA-N
XLogP41.01
TPSA834.04 Ų
H-Bond Donors11
H-Bond Acceptors62
Rotatable Bonds86
Heavy Atoms360
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004846.61
LogP ≤ 541.01
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1062

Analyze 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one with MolForge

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What is the IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one?
The IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one (CID 167588853) is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one.
What is the SMILES notation for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one?
The canonical SMILES for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one is C=C1CCC(N2C(=O)c3ccc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCOc4cccc(OC5CCC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cccc(CCCOCCCN5CCCC(Oc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)C5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCc4ccc(OCCCN5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCc4ccc(OCCCN5CCN(CCOc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one?
The InChIKey is IDTNIEGCSDCKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49F3N8O4.C48H49N7O5.C47H46N6O6.C46H46N8O6.C46H48N8O5.C45H44N8O6/c1-32-5-13-43(46(60)55-32)58-29-36-24-38(10-12-39(36)47(58)61)63-30-33-6-14-45(54-26-33)62-23-3-18-57-21-19-56(20-22-57)17-2-4-37-9-7-35(27-53-37)34-8-11-40-41-28-52-16-15-42(41)59(44(40)25-34)31-48(49,50)51;1-31-13-17-43(46(56)52-31)55-47(57)38-11-3-12-41(45(38)48(55)58)50-27-33-8-2-7-32(25-33)9-5-23-59-24-6-22-54-21-4-10-36(30-54)60-44-18-15-35(28-51-44)34-14-16-37-39-29-49-20-19-40(39)53-42(37)26-34;1-29-11-19-42(45(54)51-29)53-46(55)37-9-6-10-40(44(37)47(53)56)49-22-3-2-4-24-57-34-7-5-8-35(26-34)58-32-14-16-33(17-15-32)59-43-20-13-31(27-50-43)30-12-18-36-38-28-48-23-21-39(38)52-41(36)25-30;1-30-4-11-40(44(55)50-30)54-45(56)36-10-8-34(25-37(36)46(54)57)60-29-31-5-12-42(48-26-31)58-22-3-16-52-17-19-53(20-18-52)21-23-59-43-13-7-33(27-49-43)32-6-9-35-38-28-47-15-14-39(38)51(2)41(35)24-32;1-31-4-11-41(45(55)50-31)54-29-35-24-36(8-10-37(35)46(54)56)59-30-32-5-12-43(48-26-32)57-22-3-16-52-17-19-53(20-18-52)21-23-58-44-13-7-34(27-49-44)33-6-9-38-39-28-47-15-14-40(39)51(2)42(38)25-33;1-29-3-10-40(43(54)49-29)53-44(55)35-9-7-33(24-36(35)45(53)56)59-28-30-4-11-41(47-25-30)57-21-2-15-51-16-18-52(19-17-51)20-22-58-42-12-6-32(26-48-42)31-5-8-34-37-27-46-14-13-38(37)50-39(34)23-31/h6-12,14-16,24-28,43H,1-5,13,17-23,29-31H2,(H,55,60);2-3,7-8,11-12,14-16,18-20,25-26,28-29,36,43,50,53H,1,4-6,9-10,13,17,21-24,27,30H2,(H,52,56);5-10,12-13,18,20-21,23,25-28,32-33,42,49,52H,1-4,11,14-17,19,22,24H2,(H,51,54);5-10,12-15,24-28,40H,1,3-4,11,16-23,29H2,2H3,(H,50,55);5-10,12-15,24-28,41H,1,3-4,11,16-23,29-30H2,2H3,(H,50,55);4-9,11-14,23-27,40,50H,1-3,10,15-22,28H2,(H,49,54).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one?
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one has a molecular weight of 4846.61 g/mol, XLogP of 41.01, 86 rotatable bonds, 11 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-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[5-[3-[4-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclohexyl]oxyphenoxy]pentylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propyl]phenyl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[[6-[3-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 167588853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).