About 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 159225481) has the molecular formula C147H138N26O6S7
and a molecular weight of 2589.37 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone (CID 159225481) is 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone is CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cncs5)ccc4cn3)ccn2)C1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCC(Sc2cc(C(=O)Cc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.O=C(Cc1cc2cc(-c3cncs3)cnc2cn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is KSFPGCCVDAAXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5OS.C25H24N4OS2.C25H22N4OS.2C24H23N5OS.C23H19N3OS/c1-30(2)23-6-9-31(10-7-23)26-13-18(5-8-28-26)24(32)14-22-12-21-11-19(25-16-27-17-33-25)3-4-20(21)15-29-22;1-29-8-5-22(6-9-29)32-25-12-17(4-7-27-25)23(30)13-21-11-20-10-18(24-15-26-16-31-24)2-3-19(20)14-28-21;1-29-8-5-17(6-9-29)23-12-18(4-7-27-23)24(30)13-22-11-21-10-19(25-15-26-16-31-25)2-3-20(21)14-28-22;1-28(2)21-13-29(14-21)24-9-16(5-6-26-24)22(30)10-20-8-19-7-17(23-12-25-15-31-23)3-4-18(19)11-27-20;1-28-6-8-29(9-7-28)24-12-17(4-5-26-24)22(30)13-21-11-20-10-18(23-15-25-16-31-23)2-3-19(20)14-27-21;27-22(17-6-5-15-3-1-2-4-16(15)7-17)10-20-9-18-8-19(23-13-24-14-28-23)11-26-21(18)12-25-20/h3-5,8,11-13,15-17,23H,6-7,9-10,14H2,1-2H3;2-4,7,10-12,14-16,22H,5-6,8-9,13H2,1H3;2-5,7,10-12,14-16H,6,8-9,13H2,1H3;3-9,11-12,15,21H,10,13-14H2,1-2H3;2-5,10-12,14-16H,6-9,13H2,1H3;5-9,11-14H,1-4,10H2.
What are the key properties of 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 2589.37 g/mol, XLogP of 27.89, 32 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone;1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[3-(1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 159225481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).