About 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile (PubChem CID 157134195) has the molecular formula C169H119BrF11N51OS
and a molecular weight of 3201.12 g/mol. Its IUPAC name is 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile.
Frequently Asked Questions
What is the IUPAC name of 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?
The IUPAC name of 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile (CID 157134195) is 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile.
What is the SMILES notation for 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?
The canonical SMILES for 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile is CC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.CC(F)(c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12.CNC(=O)c1ccc(-c2ccc3nnc(C(F)c4c(F)cc5ncccc5c4F)n3n2)cc1F.Cc1ccc2nnc(C(F)c3ccc4ncc(-c5cccc(C#N)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)c3ccc4ncc(-c5cccnc5)cc4c3)n2n1.Cc1ccc2nnc(C(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)c3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc4c3)n2n1.FC(c1ccc2ncc(Br)cc2c1)c1nnc2nccnn12.
What is the InChIKey of 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?
The InChIKey is AJKVGJHDKCGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8.C23H14F4N6O.2C23H15FN6.C21H13FN6S.C21H15FN6.C20H16FN7.C14H8BrFN6/c1-15-2-5-22-29-30-24(33(22)31-15)23(25)16-3-4-21-17(10-16)11-18(12-27-21)19-13-28-32(14-19)20-6-8-26-9-7-20;1-28-23(34)12-5-4-11(9-14(12)24)16-6-7-18-30-31-22(33(18)32-16)21(27)19-15(25)10-17-13(20(19)26)3-2-8-29-17;1-23(24,18-7-8-19-17(13-18)6-3-11-26-19)22-28-27-21-10-9-20(29-30(21)22)16-5-2-4-15(12-16)14-25;1-14-5-8-21-27-28-23(30(21)29-14)22(24)17-6-7-20-18(10-17)11-19(13-26-20)16-4-2-3-15(9-16)12-25;1-21(22,15-5-6-17-18(10-15)29-12-24-17)20-26-25-19-8-7-16(27-28(19)20)14-4-2-3-13(9-14)11-23;1-13-4-7-19-25-26-21(28(19)27-13)20(22)14-5-6-18-16(9-14)10-17(12-24-18)15-3-2-8-23-11-15;1-12-3-6-18-24-25-20(28(18)26-12)19(21)13-4-5-17-14(7-13)8-15(9-22-17)16-10-23-27(2)11-16;15-10-6-9-5-8(1-2-11(9)18-7-10)12(16)13-20-21-14-17-3-4-19-22(13)14/h2-5,10-14,20,23,26H,6-9H2,1H3;2-10,21H,1H3,(H,28,34);2-13H,1H3;2-11,13,22H,1H3;2-10,12H,1H3;2-12,20H,1H3;3-11,19H,1-2H3;1-7,12H.
What are the key properties of 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?
3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile has a molecular weight of 3201.12 g/mol, XLogP of 31.96, 25 rotatable bonds, 2 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile is sourced from PubChem (CID 157134195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).