About 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one
1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one (PubChem CID 158037741) has the molecular formula C175H201N29O13S2
and a molecular weight of 2989.90 g/mol. Its IUPAC name is 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one.
Frequently Asked Questions
What is the IUPAC name of 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one?
The IUPAC name of 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one (CID 158037741) is 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one.
What is the SMILES notation for 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one?
The canonical SMILES for 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one is CC1CCN(CC(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CCC1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1.C[C@H]1CN(C)CCN1C(=O)Cc1cc2cc(-c3cnn(C)c3)ccc2cn1.Cc1ncc(-c2ccc3cnc(CC(=O)C4CCN(C)CC4)cc3c2)o1.Cc1ncc(-c2ccc3cnc(CC(=O)CN4CCC(C)CC4)cc3c2)o1.Cc1ncc(-c2ccc3cnc(CC(=O)N4CCC(N5CCCCC5)CC4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)CN4CCC(C)CC4)cc3c2)s1.[2H]C1([2H])OC([2H])(C)C([2H])([2H])N(CC(=O)Cc2cc3cc(-c4cnc(C)s4)ccc3cn2)C1([2H])[2H].
What is the InChIKey of 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one?
The InChIKey is FHYUOAJRBVPPIT-OGDJIHBASA-N. The full InChI is InChI=1S/C25H30N4O2.C23H26N2O2.C22H25N3O2.2C21H25N5O.C21H24N4OS.C21H23N3O2S.C21H23N3O2/c1-18-26-17-24(31-18)19-5-6-20-16-27-22(14-21(20)13-19)15-25(30)29-11-7-23(8-12-29)28-9-3-2-4-10-28;1-3-16-4-6-17(7-5-16)22(26)12-21-11-20-10-18(8-9-19(20)13-25-21)23-14-24-15(2)27-23;1-15-5-7-25(8-6-15)14-21(26)11-20-10-19-9-17(3-4-18(19)12-24-20)22-13-23-16(2)27-22;1-15-13-24(2)6-7-26(15)21(27)10-20-9-18-8-16(4-5-17(18)11-22-20)19-12-23-25(3)14-19;1-15-5-7-26(8-6-15)13-20(27)11-19-10-18-9-16(3-4-17(18)12-22-19)21-14-25(2)24-23-21;1-14-5-7-25(8-6-14)13-20(26)11-19-10-18-9-16(3-4-17(18)12-22-19)21-24-23-15(2)27-21;1-14-12-24(5-6-26-14)13-20(25)9-19-8-18-7-16(3-4-17(18)10-23-19)21-11-22-15(2)27-21;1-14-22-13-21(26-14)16-3-4-17-12-23-19(10-18(17)9-16)11-20(25)15-5-7-24(2)8-6-15/h5-6,13-14,16-17,23H,2-4,7-12,15H2,1H3;8-11,13-14,16-17H,3-7,12H2,1-2H3;3-4,9-10,12-13,15H,5-8,11,14H2,1-2H3;4-5,8-9,11-12,14-15H,6-7,10,13H2,1-3H3;3-4,9-10,12,14-15H,5-8,11,13H2,1-2H3;3-4,9-10,12,14H,5-8,11,13H2,1-2H3;3-4,7-8,10-11,14H,5-6,9,12-13H2,1-2H3;3-4,9-10,12-13,15H,5-8,11H2,1-2H3/t;;;15-;;;;/m...0..../s1/i;;;;;;5D2,6D2,12D2,14D;.
What are the key properties of 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one?
1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one has a molecular weight of 2989.90 g/mol, XLogP of 30.06, 36 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,4-dimethylpiperazin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-ethylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-(4-methylpiperidin-1-yl)propan-2-one;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)-3-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylpiperidin-1-yl)-3-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]propan-2-one is sourced from PubChem (CID 158037741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).