2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide

C359H349ClF2IN78O15S6+ — CID 158066951

IUPAC2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c(Cl)cn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N(C)C)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N)s5)ccc4cn3)ccn2)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1nnc(-c2cc3cc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)ncc3cc2F)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCN(C)C5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CN(C)C5)cc3c2)s1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)nn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CC(C)(F)C4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCC4)c3)cc2c1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)c1CN1CCCCC1.I.[2H]C([2H])([2H])[N+]1(C([2H])([2H])C)CCN(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)ccn2)CC1
InChIInChI=1S/C31H36N6O.C26H30N7O.C25H25ClN6O.C25H27N7OS.C24H23FN6OS.C24H22FN5O.C24H24N6O.C24H22N4OS.C24H21N3OS.C23H23N7OS.C23H21N5O.C23H20N4OS.3C21H18N4O.HI/c1-35-29(22-36-12-4-2-5-13-36)28(21-34-35)23-8-9-25-20-33-27(17-26(25)16-23)19-30(38)24-10-11-32-31(18-24)37-14-6-3-7-15-37;1-4-33(3)11-9-32(10-12-33)26-15-20(7-8-27-26)25(34)16-23-14-22-13-19(5-6-21(22)17-28-23)24-18-31(2)30-29-24;1-30-5-7-32(8-6-30)25-12-22(23(26)15-28-25)24(33)11-21-10-19-9-17(3-4-18(19)13-27-21)20-14-29-31(2)16-20;1-30(2)25-29-28-24(34-25)18-4-5-19-16-27-21(13-20(19)12-18)15-22(33)17-6-7-26-23(14-17)32-10-8-31(3)9-11-32;1-15-28-29-24(33-15)20-10-17-9-19(27-14-18(17)11-21(20)25)13-22(32)16-3-4-26-23(12-16)31-7-5-30(2)6-8-31;1-24(25)13-30(14-24)23-9-17(5-6-27-23)22(31)10-20-8-19-7-16(3-4-18(19)11-28-20)21-12-26-15-29(21)2;1-29-16-22(27-28-29)17-5-6-19-15-26-21(12-20(19)11-17)14-23(31)18-7-8-25-24(13-18)30-9-3-2-4-10-30;1-15-26-27-24(30-15)18-4-5-19-13-25-22(11-21(19)10-18)12-23(29)17-3-6-20-14-28(2)8-7-16(20)9-17;1-15-26-27-24(29-15)19-8-9-20-14-25-22(12-21(20)11-19)13-23(28)18-7-6-16-4-2-3-5-17(16)10-18;1-29-6-8-30(9-7-29)21-12-15(4-5-25-21)20(31)13-19-11-18-10-16(2-3-17(18)14-26-19)22-27-28-23(24)32-22;1-27-15-24-14-21(27)16-3-4-18-13-26-20(10-19(18)9-16)12-22(29)17-5-6-25-23(11-17)28-7-2-8-28;1-14-25-26-23(29-14)16-4-5-17-11-24-21(9-19(17)8-16)10-22(28)15-3-6-18-12-27(2)13-20(18)7-15;3*1-14-7-16(5-6-23-14)21(26)10-19-9-18-8-15(3-4-17(18)11-24-19)20-12-22-13-25(20)2;/h8-11,16-18,20-21H,2-7,12-15,19,22H2,1H3;5-8,13-15,17-18H,4,9-12,16H2,1-3H3;3-4,9-10,12-16H,5-8,11H2,1-2H3;4-7,12-14,16H,8-11,15H2,1-3H3;3-4,9-12,14H,5-8,13H2,1-2H3;3-9,11-12,15H,10,13-14H2,1-2H3;5-8,11-13,15-16H,2-4,9-10,14H2,1H3;3-6,9-11,13H,7-8,12,14H2,1-2H3;6-12,14H,2-5,13H2,1H3;2-5,10-12,14H,6-9,13H2,1H3,(H2,24,28);3-6,9-11,13-15H,2,7-8,12H2,1H3;3-9,11H,10,12-13H2,1-2H3;3*3-9,11-13H,10H2,1-2H3;1H/q;+1;;;;;;;;;;;;;;/i;3D3,4D2;;;;;;;;;;;;;;
InChIKeyNNCUSQBNZXKWMJ-PQSNBVCXSA-N
MW6394.06 g/mol
LogP60.20
Rot. Bonds74

About 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide

2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide (PubChem CID 158066951) has the molecular formula C359H349ClF2IN78O15S6+ and a molecular weight of 6394.06 g/mol. Its IUPAC name is 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide.

Molecular Properties

Compound Name2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide
PubChem CID158066951
Molecular FormulaC359H349ClF2IN78O15S6+
Molecular Weight6394.06 g/mol
Exact Mass6388.63
IUPAC Name2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c(Cl)cn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N(C)C)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N)s5)ccc4cn3)ccn2)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1nnc(-c2cc3cc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)ncc3cc2F)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCN(C)C5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CN(C)C5)cc3c2)s1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)nn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CC(C)(F)C4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCC4)c3)cc2c1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)c1CN1CCCCC1.I.[2H]C([2H])([2H])[N+]1(C([2H])([2H])C)CCN(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)ccn2)CC1
InChIInChI=1S/C31H36N6O.C26H30N7O.C25H25ClN6O.C25H27N7OS.C24H23FN6OS.C24H22FN5O.C24H24N6O.C24H22N4OS.C24H21N3OS.C23H23N7OS.C23H21N5O.C23H20N4OS.3C21H18N4O.HI/c1-35-29(22-36-12-4-2-5-13-36)28(21-34-35)23-8-9-25-20-33-27(17-26(25)16-23)19-30(38)24-10-11-32-31(18-24)37-14-6-3-7-15-37;1-4-33(3)11-9-32(10-12-33)26-15-20(7-8-27-26)25(34)16-23-14-22-13-19(5-6-21(22)17-28-23)24-18-31(2)30-29-24;1-30-5-7-32(8-6-30)25-12-22(23(26)15-28-25)24(33)11-21-10-19-9-17(3-4-18(19)13-27-21)20-14-29-31(2)16-20;1-30(2)25-29-28-24(34-25)18-4-5-19-16-27-21(13-20(19)12-18)15-22(33)17-6-7-26-23(14-17)32-10-8-31(3)9-11-32;1-15-28-29-24(33-15)20-10-17-9-19(27-14-18(17)11-21(20)25)13-22(32)16-3-4-26-23(12-16)31-7-5-30(2)6-8-31;1-24(25)13-30(14-24)23-9-17(5-6-27-23)22(31)10-20-8-19-7-16(3-4-18(19)11-28-20)21-12-26-15-29(21)2;1-29-16-22(27-28-29)17-5-6-19-15-26-21(12-20(19)11-17)14-23(31)18-7-8-25-24(13-18)30-9-3-2-4-10-30;1-15-26-27-24(30-15)18-4-5-19-13-25-22(11-21(19)10-18)12-23(29)17-3-6-20-14-28(2)8-7-16(20)9-17;1-15-26-27-24(29-15)19-8-9-20-14-25-22(12-21(20)11-19)13-23(28)18-7-6-16-4-2-3-5-17(16)10-18;1-29-6-8-30(9-7-29)21-12-15(4-5-25-21)20(31)13-19-11-18-10-16(2-3-17(18)14-26-19)22-27-28-23(24)32-22;1-27-15-24-14-21(27)16-3-4-18-13-26-20(10-19(18)9-16)12-22(29)17-5-6-25-23(11-17)28-7-2-8-28;1-14-25-26-23(29-14)16-4-5-17-11-24-21(9-19(17)8-16)10-22(28)15-3-6-18-12-27(2)13-20(18)7-15;3*1-14-7-16(5-6-23-14)21(26)10-19-9-18-8-15(3-4-17(18)11-24-19)20-12-22-13-25(20)2;/h8-11,16-18,20-21H,2-7,12-15,19,22H2,1H3;5-8,13-15,17-18H,4,9-12,16H2,1-3H3;3-4,9-10,12-16H,5-8,11H2,1-2H3;4-7,12-14,16H,8-11,15H2,1-3H3;3-4,9-12,14H,5-8,13H2,1-2H3;3-9,11-12,15H,10,13-14H2,1-2H3;5-8,11-13,15-16H,2-4,9-10,14H2,1H3;3-6,9-11,13H,7-8,12,14H2,1-2H3;6-12,14H,2-5,13H2,1H3;2-5,10-12,14H,6-9,13H2,1H3,(H2,24,28);3-6,9-11,13-15H,2,7-8,12H2,1H3;3-9,11H,10,12-13H2,1-2H3;3*3-9,11-13H,10H2,1-2H3;1H/q;+1;;;;;;;;;;;;;;/i;3D3,4D2;;;;;;;;;;;;;;
InChIKeyNNCUSQBNZXKWMJ-PQSNBVCXSA-N
XLogP60.20
TPSA1026.02 Ų
H-Bond Donors1
H-Bond Acceptors98
Rotatable Bonds74
Heavy Atoms462
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006394.06
LogP ≤ 560.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1098

Analyze 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide?
The IUPAC name of 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide (CID 158066951) is 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide.
What is the SMILES notation for 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide?
The canonical SMILES for 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c(Cl)cn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N(C)C)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N)s5)ccc4cn3)ccn2)CC1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.Cc1nnc(-c2cc3cc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)ncc3cc2F)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCN(C)C5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CN(C)C5)cc3c2)s1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)nn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CC(C)(F)C4)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(N4CCC4)c3)cc2c1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)c1CN1CCCCC1.I.[2H]C([2H])([2H])[N+]1(C([2H])([2H])C)CCN(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4cn3)ccn2)CC1.
What is the InChIKey of 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide?
The InChIKey is NNCUSQBNZXKWMJ-PQSNBVCXSA-N. The full InChI is InChI=1S/C31H36N6O.C26H30N7O.C25H25ClN6O.C25H27N7OS.C24H23FN6OS.C24H22FN5O.C24H24N6O.C24H22N4OS.C24H21N3OS.C23H23N7OS.C23H21N5O.C23H20N4OS.3C21H18N4O.HI/c1-35-29(22-36-12-4-2-5-13-36)28(21-34-35)23-8-9-25-20-33-27(17-26(25)16-23)19-30(38)24-10-11-32-31(18-24)37-14-6-3-7-15-37;1-4-33(3)11-9-32(10-12-33)26-15-20(7-8-27-26)25(34)16-23-14-22-13-19(5-6-21(22)17-28-23)24-18-31(2)30-29-24;1-30-5-7-32(8-6-30)25-12-22(23(26)15-28-25)24(33)11-21-10-19-9-17(3-4-18(19)13-27-21)20-14-29-31(2)16-20;1-30(2)25-29-28-24(34-25)18-4-5-19-16-27-21(13-20(19)12-18)15-22(33)17-6-7-26-23(14-17)32-10-8-31(3)9-11-32;1-15-28-29-24(33-15)20-10-17-9-19(27-14-18(17)11-21(20)25)13-22(32)16-3-4-26-23(12-16)31-7-5-30(2)6-8-31;1-24(25)13-30(14-24)23-9-17(5-6-27-23)22(31)10-20-8-19-7-16(3-4-18(19)11-28-20)21-12-26-15-29(21)2;1-29-16-22(27-28-29)17-5-6-19-15-26-21(12-20(19)11-17)14-23(31)18-7-8-25-24(13-18)30-9-3-2-4-10-30;1-15-26-27-24(30-15)18-4-5-19-13-25-22(11-21(19)10-18)12-23(29)17-3-6-20-14-28(2)8-7-16(20)9-17;1-15-26-27-24(29-15)19-8-9-20-14-25-22(12-21(20)11-19)13-23(28)18-7-6-16-4-2-3-5-17(16)10-18;1-29-6-8-30(9-7-29)21-12-15(4-5-25-21)20(31)13-19-11-18-10-16(2-3-17(18)14-26-19)22-27-28-23(24)32-22;1-27-15-24-14-21(27)16-3-4-18-13-26-20(10-19(18)9-16)12-22(29)17-5-6-25-23(11-17)28-7-2-8-28;1-14-25-26-23(29-14)16-4-5-17-11-24-21(9-19(17)8-16)10-22(28)15-3-6-18-12-27(2)13-20(18)7-15;3*1-14-7-16(5-6-23-14)21(26)10-19-9-18-8-15(3-4-17(18)11-24-19)20-12-22-13-25(20)2;/h8-11,16-18,20-21H,2-7,12-15,19,22H2,1H3;5-8,13-15,17-18H,4,9-12,16H2,1-3H3;3-4,9-10,12-16H,5-8,11H2,1-2H3;4-7,12-14,16H,8-11,15H2,1-3H3;3-4,9-12,14H,5-8,13H2,1-2H3;3-9,11-12,15H,10,13-14H2,1-2H3;5-8,11-13,15-16H,2-4,9-10,14H2,1H3;3-6,9-11,13H,7-8,12,14H2,1-2H3;6-12,14H,2-5,13H2,1H3;2-5,10-12,14H,6-9,13H2,1H3,(H2,24,28);3-6,9-11,13-15H,2,7-8,12H2,1H3;3-9,11H,10,12-13H2,1-2H3;3*3-9,11-13H,10H2,1-2H3;1H/q;+1;;;;;;;;;;;;;;/i;3D3,4D2;;;;;;;;;;;;;;.
What are the key properties of 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide?
2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide has a molecular weight of 6394.06 g/mol, XLogP of 60.20, 74 rotatable bonds, 1 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(azetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(1,1-dideuterioethyl)-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(3-fluoro-3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;hydroiodide is sourced from PubChem (CID 158066951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).