3-bromo-6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[difluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide
C171H112BrF22N51O2 — CID 158841682
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-bromo-6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[difluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide
3-bromo-6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[difluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide (PubChem CID 158841682) has the molecular formula C171H112BrF22N51O2 and a molecular weight of 3410.99 g/mol. Its IUPAC name is 3-bromo-6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[difluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide.
Molecular Properties
| Compound Name | 3-bromo-6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[difluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide |
|---|---|
| PubChem CID | 158841682 |
| Molecular Formula | C171H112BrF22N51O2 |
| Molecular Weight | 3410.99 g/mol |
| Exact Mass | 3407.91 |
| IUPAC Name | 3-bromo-6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[difluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide |
| SMILES | CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4c(F)cc5ncccc5c4F)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cccnc5cc4C)n3n2)cc1F.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cccc(C#N)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cccnc5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc4c3)n2n1.FC(F)(c1ccc2ncc(Br)cc2c1)c1nnc2nccnn12.N#Cc1cccc(-c2ccc3nnc(C(F)(F)c4c(F)cc5ncccc5c4F)n3n2)c1 |
| InChI | InChI=1S/C24H17F3N6O.C24H22F2N8.C23H13F5N6O.C23H14F2N6.C22H10F4N6.C21H14F2N6.C20H15F2N7.C14H7BrF2N6/c1-13-10-20-14(4-3-9-29-20)11-17(13)24(26,27)23-31-30-21-8-7-19(32-33(21)23)15-5-6-16(18(25)12-15)22(34)28-2;1-15-2-5-22-30-31-23(34(22)32-15)24(25,26)19-3-4-21-16(11-19)10-17(12-28-21)18-13-29-33(14-18)20-6-8-27-9-7-20;1-29-21(35)12-5-4-11(9-14(12)24)16-6-7-18-31-32-22(34(18)33-16)23(27,28)19-15(25)10-17-13(20(19)26)3-2-8-30-17;1-14-5-8-21-28-29-22(31(21)30-14)23(24,25)19-6-7-20-17(11-19)10-18(13-27-20)16-4-2-3-15(9-16)12-26;23-15-10-17-14(5-2-8-28-17)20(24)19(15)22(25,26)21-30-29-18-7-6-16(31-32(18)21)13-4-1-3-12(9-13)11-27;1-13-4-7-19-26-27-20(29(19)28-13)21(22,23)17-5-6-18-15(10-17)9-16(12-25-18)14-3-2-8-24-11-14;1-12-3-6-18-25-26-19(29(18)27-12)20(21,22)16-4-5-17-13(8-16)7-14(9-23-17)15-10-24-28(2)11-15;15-10-6-8-5-9(1-2-11(8)19-7-10)14(16,17)12-21-22-13-18-3-4-20-23(12)13/h3-12H,1-2H3,(H,28,34);2-5,10-14,20,27H,6-9H2,1H3;2-10H,1H3,(H,29,35);2-11,13H,1H3;1-10H;2-12H,1H3;3-11H,1-2H3;1-7H |
| InChIKey | IYIAGQJJUKUOIY-UHFFFAOYSA-N |
| XLogP | 32.42 |
| TPSA | 626.99 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 247 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3410.99 |
| LogP ≤ 5 | 32.42 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 51 |
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