About bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine)
bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine) (PubChem CID 158561587) has the molecular formula C284H340N56O16S2
and a molecular weight of 4858.35 g/mol. Its IUPAC name is bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine).
Frequently Asked Questions
What is the IUPAC name of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine)?
The IUPAC name of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine) (CID 158561587) is bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine).
What is the SMILES notation for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine)?
The canonical SMILES for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine) is Cc1cccc(-c2cnc3ccc(NC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(C)(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(CO)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(CO)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCC(C(C)(C)O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCS(=O)(=O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(NCC4CCS(=O)(=O)CC4)nn23)c1.Cc1cccc(-c2cnc3ccc(OC4CCC(C(C)(C)O)CC4)nn23)c1.[C-]#[N+]C1CCC(Nc2ccc3ncc(-c4cccc(C)c4)n3n2)CC1.
What is the InChIKey of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine)?
The InChIKey is HQYKFRLQGZEDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O.3C22H28N4O.C22H27N3O2.C20H21N5.3C20H24N4O.2C19H22N4O2S.C19H22N4O.2C18H20N4O/c1-16-5-4-6-18(13-16)20-15-25-22-12-11-21(26-27(20)22)24-14-17-7-9-19(10-8-17)23(2,3)28;3*1-15-5-4-6-16(13-15)19-14-23-21-12-11-20(25-26(19)21)24-18-9-7-17(8-10-18)22(2,3)27;1-15-5-4-6-16(13-15)19-14-23-20-11-12-21(24-25(19)20)27-18-9-7-17(8-10-18)22(2,3)26;1-14-4-3-5-15(12-14)18-13-22-20-11-10-19(24-25(18)20)23-17-8-6-16(21-2)7-9-17;1-14-4-3-5-15(12-14)17-13-21-19-7-6-18(23-24(17)19)22-16-8-10-20(2,25)11-9-16;2*1-14-3-2-4-16(11-14)18-12-21-20-10-9-19(23-24(18)20)22-17-7-5-15(13-25)6-8-17;2*1-14-3-2-4-16(11-14)17-13-21-19-6-5-18(22-23(17)19)20-12-15-7-9-26(24,25)10-8-15;1-13-3-2-4-14(11-13)17-12-20-19-10-9-18(22-23(17)19)21-15-5-7-16(24)8-6-15;2*1-13-3-2-4-14(11-13)16-12-19-18-6-5-17(21-22(16)18)20-15-7-9-23-10-8-15/h4-6,11-13,15,17,19,28H,7-10,14H2,1-3H3,(H,24,26);3*4-6,11-14,17-18,27H,7-10H2,1-3H3,(H,24,25);4-6,11-14,17-18,26H,7-10H2,1-3H3;3-5,10-13,16-17H,6-9H2,1H3,(H,23,24);3-7,12-13,16,25H,8-11H2,1-2H3,(H,22,23);2*2-4,9-12,15,17,25H,5-8,13H2,1H3,(H,22,23);2*2-6,11,13,15H,7-10,12H2,1H3,(H,20,22);2-4,9-12,15-16,24H,5-8H2,1H3,(H,21,22);2*2-6,11-12,15H,7-10H2,1H3,(H,20,21).
What are the key properties of bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine)?
bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine) has a molecular weight of 4858.35 g/mol, XLogP of 53.83, 52 rotatable bonds, 22 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine);N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis([4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol);tris(2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;bis(3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine) is sourced from PubChem (CID 158561587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).