About 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine
7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine (PubChem CID 158675624) has the molecular formula C143H178F4N28O3S
and a molecular weight of 2445.25 g/mol. Its IUPAC name is 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine.
Frequently Asked Questions
What is the IUPAC name of 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine?
The IUPAC name of 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine (CID 158675624) is 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine.
What is the SMILES notation for 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine?
The canonical SMILES for 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCC(F)(F)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNC[C@@H](F)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNC[C@H](F)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCNS(=O)(=O)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C.
What is the InChIKey of 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine?
The InChIKey is IEMDVGGDYQSOCG-YTNXOMMISA-N. The full InChI is InChI=1S/C25H33N5.C24H28F2N4.2C24H30FN5.C23H29N5O2S.C23H28N4O/c1-16-9-8-10-21(17(16)2)18(3)26-24-23-13-20(11-12-22(23)19(4)27-28-24)30-14-25(5,15-30)29(6)7;1-15-6-5-7-20(16(15)2)17(3)27-23-22-14-19(8-9-21(22)18(4)28-29-23)30-12-10-24(25,26)11-13-30;2*1-15-6-5-7-21(16(15)2)17(3)27-24-23-12-20(8-9-22(23)18(4)28-29-24)30-11-10-26-13-19(25)14-30;1-15-6-5-7-20(16(15)2)17(3)25-23-22-14-19(8-9-21(22)18(4)26-27-23)28-11-10-24-31(29,30)13-12-28;1-15-6-5-7-20(16(15)2)17(3)24-23-22-14-19(27-10-12-28-13-11-27)8-9-21(22)18(4)25-26-23/h8-13,18H,14-15H2,1-7H3,(H,26,28);5-9,14,17H,10-13H2,1-4H3,(H,27,29);2*5-9,12,17,19,26H,10-11,13-14H2,1-4H3,(H,27,29);5-9,14,17,24H,10-13H2,1-4H3,(H,25,27);5-9,14,17H,10-13H2,1-4H3,(H,24,26)/t18-;17-;17-,19+;17-,19-;2*17-/m111111/s1.
What are the key properties of 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine?
7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine has a molecular weight of 2445.25 g/mol, XLogP of 27.82, 25 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-[(6S)-6-fluoro-1,4-diazepan-1-yl]-4-methylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine is sourced from PubChem (CID 158675624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).