About 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine
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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine (PubChem CID 159767721) has the molecular formula C147H180F2N36O3
and a molecular weight of 2537.30 g/mol. Its IUPAC name is 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine.
Frequently Asked Questions
What is the IUPAC name of 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine (CID 159767721) is 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine is COC1(C)CN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)C1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=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(N5CCC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(c5cnn(C)c5)CC4)cc23)c1C.
What is the InChIKey of 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is NFSGMUMGNAQYQK-OATQPSBPSA-N. The full InChI is InChI=1S/C26H32N8.C26H34N6.C25H30N6O.C24H28N6O.C23H27F2N5.C23H29N5O/c1-17-7-6-8-22(18(17)2)19(3)29-26-23-13-25(27-15-24(23)20(4)30-31-26)34-11-9-33(10-12-34)21-14-28-32(5)16-21;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;1-15-7-6-8-19(16(15)2)17(3)27-23-20-11-22(26-12-21(20)18(4)28-29-23)31-13-25(14-31)9-10-30(5)24(25)32;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;1-14-6-5-7-18(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;1-14-8-7-9-18(15(14)2)16(3)25-22-19-10-21(28-12-23(5,13-28)29-6)24-11-20(19)17(4)26-27-22/h6-8,13-16,19H,9-12H2,1-5H3,(H,29,31);5,7-8,15-16,19,21H,6,9-14H2,1-4H3,(H,28,30);6-8,11-12,17H,9-10,13-14H2,1-5H3,(H,27,29);5-7,10-11,16H,8-9,12-13H2,1-4H3,(H,25,31)(H,27,29);5-7,12-13,16H,8-11H2,1-4H3,(H,27,29);7-11,16H,12-13H2,1-6H3,(H,25,27)/t2*19-;17-;3*16-/m111111/s1.
What are the key properties of 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine?
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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2537.30 g/mol, XLogP of 25.93, 27 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 159767721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).