About 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 167565981) has the molecular formula C167H205B3Br2F10N26O19
and a molecular weight of 3262.86 g/mol. Its IUPAC name is 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
Frequently Asked Questions
What is the IUPAC name of 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 167565981) is 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCc2c([nH]c3cc(-c4cnc(N5CCC(CC=O)CC5)c(F)c4)ccc23)C1.CN1CCc2c([nH]c3cc(-c4cnc(N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)c(F)c4)ccc23)C1.CN1CCc2c(n(C(F)F)c3cc(B4OC(C)(C)C(C)(C)O4)ccc23)C1.CN1CCc2c(n(C(F)F)c3cc(Br)ccc23)C1.COC(CC1CCN(c2ncc(-c3ccc4c5c(n(C(F)F)c4c3)CN(C)CC5)cc2F)CC1)OC.COC(CC1CCN(c2ncc(Br)cc2F)CC1)OC.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is FHEAYOSLJFFROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45FN8O4.C27H33F3N4O2.C24H27FN4O.C19H25BF2N2O2.C17H18N4O4.C14H20BrFN2O2.C13H13BrF2N2.C12H24B2O4/c1-46-12-11-30-29-4-2-26(21-34(29)44-35(30)24-46)27-20-33(42)38(43-23-27)49-14-9-25(10-15-49)8-13-47-16-18-48(19-17-47)28-3-5-31-32(22-28)41(54)50(40(31)53)36-6-7-37(51)45-39(36)52;1-32-9-8-21-20-5-4-18(14-23(20)34(27(29)30)24(21)16-32)19-13-22(28)26(31-15-19)33-10-6-17(7-11-33)12-25(35-2)36-3;1-28-8-6-20-19-3-2-17(13-22(19)27-23(20)15-28)18-12-21(25)24(26-14-18)29-9-4-16(5-10-29)7-11-30;1-18(2)19(3,4)26-20(25-18)12-6-7-13-14-8-9-23(5)11-16(14)24(17(21)22)15(13)10-12;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;1-19-13(20-2)7-10-3-5-18(6-4-10)14-12(16)8-11(15)9-17-14;1-17-5-4-10-9-3-2-8(14)6-11(9)18(13(15)16)12(10)7-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2-5,20-23,25,36,44H,6-19,24H2,1H3,(H,45,51,52);4-5,13-15,17,25,27H,6-12,16H2,1-3H3;2-3,11-14,16,27H,4-10,15H2,1H3;6-7,10,17H,8-9,11H2,1-5H3;1-2,9,13,18H,3-8H2,(H,19,22,23);8-10,13H,3-7H2,1-2H3;2-3,6,13H,4-5,7H2,1H3;1-8H3.
What are the key properties of 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3262.86 g/mol, XLogP of 25.87, 29 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-bromo-2-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoropyridine;9-(difluoromethyl)-7-[6-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;9-(difluoromethyl)-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-[1-[3-fluoro-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]acetaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 167565981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).