C164H174F10N24O24 — CID 159734842
7-[6-[3-(6,6-dimethoxyhexoxy)cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;bis(6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal);2-(trifluoromethyl)piperazine (PubChem CID 159734842) has the molecular formula C164H174F10N24O24 and a molecular weight of 3055.32 g/mol. Its IUPAC name is 7-[6-[3-(6,6-dimethoxyhexoxy)cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;bis(6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal);2-(trifluoromethyl)piperazine.
| Compound Name | 7-[6-[3-(6,6-dimethoxyhexoxy)cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;bis(6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal);2-(trifluoromethyl)piperazine |
|---|---|
| PubChem CID | 159734842 |
| Molecular Formula | C164H174F10N24O24 |
| Molecular Weight | 3055.32 g/mol |
| Exact Mass | 3053.30 |
| IUPAC Name | 7-[6-[3-(6,6-dimethoxyhexoxy)cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexyl]-3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[3-(trifluoromethyl)piperazin-1-yl]isoindole-1,3-dione;bis(6-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyhexanal);2-(trifluoromethyl)piperazine |
| SMILES | COC(CCCCCOC1CC(Oc2ccc(-c3ccc4c5cnccc5n(C)c4c3)cn2)C1)OC.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCC=O)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCC=O)C4)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCCCCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5C(F)(F)F)C4)nc3)cc21.FC(F)(F)C1CNCCN1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNC(C(F)(F)F)C4)cc3C2=O)C(=O)N1 |
| InChI | InChI=1S/C45H46F3N7O6.C29H35N3O4.2C27H29N3O3.C18H17F3N4O4.C13H9FN2O4.C5H9F3N2/c1-52-36-14-15-49-25-35(36)32-9-6-27(20-38(32)52)28-7-13-41(50-24-28)61-31-22-30(23-31)60-19-5-3-2-4-16-53-17-18-54(26-39(53)45(46,47)48)29-8-10-33-34(21-29)44(59)55(43(33)58)37-11-12-40(56)51-42(37)57;1-32-26-12-13-30-19-25(26)24-10-8-20(15-27(24)32)21-9-11-28(31-18-21)36-23-16-22(17-23)35-14-6-4-5-7-29(33-2)34-3;2*1-30-25-10-11-28-18-24(25)23-8-6-19(14-26(23)30)20-7-9-27(29-17-20)33-22-15-21(16-22)32-13-5-3-2-4-12-31;19-18(20,21)13-8-24(6-5-22-13)9-1-2-10-11(7-9)17(29)25(16(10)28)12-3-4-14(26)23-15(12)27;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;6-5(7,8)4-3-9-1-2-10-4/h6-10,13-15,20-21,24-25,30-31,37,39H,2-5,11-12,16-19,22-23,26H2,1H3,(H,51,56,57);8-13,15,18-19,22-23,29H,4-7,14,16-17H2,1-3H3;2*6-12,14,17-18,21-22H,2-5,13,15-16H2,1H3;1-2,7,12-13,22H,3-6,8H2,(H,23,26,27);1-2,5,9H,3-4H2,(H,15,17,18);4,9-10H,1-3H2 |
| InChIKey | NBRXIBCMNYWIDS-UHFFFAOYSA-N |
| XLogP | 24.04 |
| TPSA | 545.74 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 222 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3055.32 |
| LogP ≤ 5 | 24.04 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|