About 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 159089058) has the molecular formula C161H195F3N34O10
and a molecular weight of 2823.55 g/mol. Its IUPAC name is 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
Frequently Asked Questions
What is the IUPAC name of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 159089058) is 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is COc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2ccc(N3CC(C)(O)C3)cc12.COc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CC(C)(O)C3)cc12.COc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCN4CCOC[C@@H]4C3)cc12.COc1c(C)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12.Cc1cc([C@@H](C)Nc2nnc(C)c3ccc(N4C[C@H]5C[C@@H]4CO5)cc23)cc(N)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCNCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cc(F)c(N4CCOCC4)cc23)c1C.
What is the InChIKey of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is KBVBEIHKSXXCQR-NZXJEFELSA-N. The full InChI is InChI=1S/C25H32N6O2.C23H26FN5O.C23H28FN5.C23H27FN4O.C23H28N4O2.2C22H27N5O2/c1-16-6-5-7-20(24(16)32-4)17(2)27-25-21-12-23(26-13-22(21)18(3)28-29-25)31-9-8-30-10-11-33-15-19(30)14-31;1-12-6-15(7-21(25)22(12)24)13(2)26-23-20-9-16(4-5-19(20)14(3)27-28-23)29-10-18-8-17(29)11-30-18;1-14-6-5-7-18(15(14)2)16(3)26-23-20-13-22(29-10-8-25-9-11-29)21(24)12-19(20)17(4)27-28-23;1-14-6-5-7-18(15(14)2)16(3)25-23-20-13-22(28-8-10-29-11-9-28)21(24)12-19(20)17(4)26-27-23;1-14-7-6-8-19(21(14)29-5)15(2)24-22-20-11-17(27-12-23(4,28)13-27)9-10-18(20)16(3)25-26-22;1-13-7-6-8-16(20(13)29-5)14(2)24-21-17-9-19(27-11-22(4,28)12-27)23-10-18(17)15(3)25-26-21;1-14-6-5-7-17(21(14)28-4)15(2)24-22-18-12-20(27-8-10-29-11-9-27)23-13-19(18)16(3)25-26-22/h5-7,12-13,17,19H,8-11,14-15H2,1-4H3,(H,27,29);4-7,9,13,17-18H,8,10-11,25H2,1-3H3,(H,26,28);5-7,12-13,16,25H,8-11H2,1-4H3,(H,26,28);5-7,12-13,16H,8-11H2,1-4H3,(H,25,27);6-11,15,28H,12-13H2,1-5H3,(H,24,26);6-10,14,28H,11-12H2,1-5H3,(H,24,26);5-7,12-13,15H,8-11H2,1-4H3,(H,24,26)/t17-,19+;13-,17-,18-;2*16-;15-;14-;15-/m1111111/s1.
What are the key properties of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2823.55 g/mol, XLogP of 27.50, 32 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-amino-4-fluoro-5-methylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-6-fluoro-4-methyl-7-piperazin-1-ylphthalazin-1-amine;1-[4-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-1-methylphthalazin-6-yl]-3-methylazetidin-3-ol;1-[1-[[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2-methoxy-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 159089058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).