About 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid
11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid (PubChem CID 167645389) has the molecular formula C144H152BBr2F13N30O21S
and a molecular weight of 3088.65 g/mol. Its IUPAC name is 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid.
Frequently Asked Questions
What is the IUPAC name of 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid?
The IUPAC name of 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid (CID 167645389) is 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid.
What is the SMILES notation for 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid?
The canonical SMILES for 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid is COC(CC1CCN(c2ncc(-c3ccc4c5cnccc5n(C(F)F)c4n3)cc2F)CC1)OC.COC(CC1CCN(c2ncc(B(O)O)cc2F)CC1)OC.COC(CC1CCN(c2ncc(Br)cc2F)CC1)OC.FC(F)n1c2ccncc2c2ccc(Br)nc21.O=C1CCC(N2C(=O)c3ccc(N4CCN(CCC5CCN(c6ncc(-c7ccc8c9cnccc9n(C(F)F)c8n7)cc6F)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.O=CCC1CCN(c2ncc(-c3ccc4c5cnccc5n(C(F)F)c4n3)cc2F)CC1.O=S(=O)(O)O.
What is the InChIKey of 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid?
The InChIKey is WULVYXKISMQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38F3N9O4.C25H26F3N5O2.C23H20F3N5O.C17H18N4O4.C14H22BFN2O4.C14H20BrFN2O2.C11H6BrF2N3.H2O4S/c41-30-19-24(31-4-3-26-29-22-44-11-7-32(29)51(40(42)43)35(26)46-31)21-45-36(30)50-13-9-23(10-14-50)8-12-48-15-17-49(18-16-48)25-1-2-27-28(20-25)39(56)52(38(27)55)33-5-6-34(53)47-37(33)54;1-34-22(35-2)11-15-6-9-32(10-7-15)24-19(26)12-16(13-30-24)20-4-3-17-18-14-29-8-5-21(18)33(25(27)28)23(17)31-20;24-18-11-15(12-28-22(18)30-8-4-14(5-9-30)6-10-32)19-2-1-16-17-13-27-7-3-20(17)31(23(25)26)21(16)29-19;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;1-21-13(22-2)7-10-3-5-18(6-4-10)14-12(16)8-11(9-17-14)15(19)20;1-19-13(20-2)7-10-3-5-18(6-4-10)14-12(16)8-11(15)9-17-14;12-9-2-1-6-7-5-15-4-3-8(7)17(11(13)14)10(6)16-9;1-5(2,3)4/h1-4,7,11,19-23,33,40H,5-6,8-10,12-18H2,(H,47,53,54);3-5,8,12-15,22,25H,6-7,9-11H2,1-2H3;1-3,7,10-14,23H,4-6,8-9H2;1-2,9,13,18H,3-8H2,(H,19,22,23);8-10,13,19-20H,3-7H2,1-2H3;8-10,13H,3-7H2,1-2H3;1-5,11H;(H2,1,2,3,4).
What are the key properties of 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid?
11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid has a molecular weight of 3088.65 g/mol, XLogP of 21.32, 34 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;8-(difluoromethyl)-11-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetaldehyde;5-[4-[2-[1-[5-[8-(difluoromethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]boronic acid;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;sulfuric acid is sourced from PubChem (CID 167645389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).