About bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine
bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine (PubChem CID 159605853) has the molecular formula C170H213F2N39O3
and a molecular weight of 2888.84 g/mol. Its IUPAC name is bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine.
Frequently Asked Questions
What is the IUPAC name of bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine (CID 159605853) is bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C5CCC4COC5)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCNC5=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(F)(F)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(N(C)C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(N5CCC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(N5CCC5)CC4)cc23)c1C.
What is the InChIKey of bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is MMBMJLXMGNWOQE-MRRSRBIPSA-N. The full InChI is InChI=1S/2C26H34N6.C25H34N6.C24H28N6O.C24H29N5O.C23H27F2N5.C22H27N5O/c2*1-17-7-5-8-22(18(17)2)19(3)28-26-23-15-25(27-16-24(23)20(4)29-30-26)32-13-9-21(10-14-32)31-11-6-12-31;1-16-8-7-9-21(17(16)2)18(3)27-25-22-14-24(26-15-23(22)19(4)28-29-25)31-12-10-20(11-13-31)30(5)6;1-14-6-5-7-18(15(14)2)16(3)27-22-19-10-21(26-11-20(19)17(4)28-29-22)30-12-24(13-30)8-9-25-23(24)31;1-14-6-5-7-20(15(14)2)16(3)26-24-21-10-23(25-11-22(21)17(4)27-28-24)29-18-8-9-19(29)13-30-12-18;1-14-6-5-7-18(15(14)2)16(3)27-22-19-12-21(26-13-20(19)17(4)28-29-22)30-10-8-23(24,25)9-11-30;1-13-7-6-8-17(14(13)2)15(3)24-21-18-9-20(27-11-22(5,28)12-27)23-10-19(18)16(4)25-26-21/h2*5,7-8,15-16,19,21H,6,9-14H2,1-4H3,(H,28,30);7-9,14-15,18,20H,10-13H2,1-6H3,(H,27,29);5-7,10-11,16H,8-9,12-13H2,1-4H3,(H,25,31)(H,27,29);5-7,10-11,16,18-19H,8-9,12-13H2,1-4H3,(H,26,28);5-7,12-13,16H,8-11H2,1-4H3,(H,27,29);6-10,15,28H,11-12H2,1-5H3,(H,24,26)/t2*19-;18-;16-;16-,18?,19?;16-;15-/m1111111/s1.
What are the key properties of bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine?
bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2888.84 g/mol, XLogP of 31.24, 31 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 159605853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).