About 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione
5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione (PubChem CID 167629426) has the molecular formula C173H191BBr2ClF13N32O27
and a molecular weight of 3603.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione.
Frequently Asked Questions
What is the IUPAC name of 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione (CID 167629426) is 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione is CC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.CC1(C)OB(c2ccc3c4cnccc4n(C(F)F)c3c2)OC1(C)C.FC(F)(F)c1cc(Br)cnc1Cl.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ncc(-c7ccc8c9cnccc9n(C(F)F)c8c7)cc6C(F)(F)F)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ncc(Br)cc6C(F)(F)F)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCNCC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione?
The InChIKey is NOROUXKJUQOFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37F5N8O4.C29H30BrF3N6O4.C28H37N5O6.C23H29N5O4.C18H19BF2N2O2.C17H18N4O4.C11H19NO3.C6H2BrClF3N/c42-40(43)53-32-7-10-47-21-30(32)27-3-1-24(18-34(27)53)25-17-31(41(44,45)46)36(48-20-25)52-11-8-23(9-12-52)22-50-13-15-51(16-14-50)26-2-4-28-29(19-26)39(58)54(38(28)57)33-5-6-35(55)49-37(33)56;30-18-13-22(29(31,32)33)25(34-15-18)38-7-5-17(6-8-38)16-36-9-11-37(12-10-36)19-1-2-20-21(14-19)28(43)39(27(20)42)23-3-4-24(40)35-26(23)41;1-28(2,3)39-27(38)32-10-8-18(9-11-32)17-30-12-14-31(15-13-30)19-4-5-20-21(16-19)26(37)33(25(20)36)22-6-7-23(34)29-24(22)35;29-20-4-3-19(21(30)25-20)28-22(31)17-2-1-16(13-18(17)23(28)32)27-11-9-26(10-12-27)14-15-5-7-24-8-6-15;1-17(2)18(3,4)25-19(24-17)11-5-6-12-13-10-22-8-7-14(13)23(16(20)21)15(12)9-11;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;7-3-1-4(6(9,10)11)5(8)12-2-3/h1-4,7,10,17-21,23,33,40H,5-6,8-9,11-16,22H2,(H,49,55,56);1-2,13-15,17,23H,3-12,16H2,(H,35,40,41);4-5,16,18,22H,6-15,17H2,1-3H3,(H,29,34,35);1-2,13,15,19,24H,3-12,14H2,(H,25,29,30);5-10,16H,1-4H3;1-2,9,13,18H,3-8H2,(H,19,22,23);8-9H,4-7H2,1-3H3;1-2H.
What are the key properties of 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione?
5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 3603.67 g/mol, XLogP of 20.20, 25 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(trifluoromethyl)pyridine;5-[4-[[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;5-[4-[[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-(difluoromethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 167629426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).