C318H311FN56O18 — CID 158028946
1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-[(dimethylamino)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-(4-methylphenyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-phenylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone (PubChem CID 158028946) has the molecular formula C318H311FN56O18 and a molecular weight of 5224.36 g/mol. Its IUPAC name is 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-[(dimethylamino)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-(4-methylphenyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-phenylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone.
| Compound Name | 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-[(dimethylamino)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-(4-methylphenyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-phenylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone |
|---|---|
| PubChem CID | 158028946 |
| Molecular Formula | C318H311FN56O18 |
| Molecular Weight | 5224.36 g/mol |
| Exact Mass | 5220.51 |
| IUPAC Name | 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-[(dimethylamino)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1-fluoroethoxy)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylazetidin-3-yl)oxy-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-(4-methylphenyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-phenylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone |
| SMILES | CC(C)CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CC(C)Oc1ccc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1.CCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN(C)Cc1ccc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1.CN1CC(Oc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)C1.CN1CCC(c2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c2)CC1.CN1CCN(Cc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c2)CC1.CN1CCN(c2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cn1.Cc1ccc(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccccc4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(OC5CCC5)c4)cc3c2)cn1 |
| InChI | InChI=1S/C28H32N6O.C27H29N5O.C27H28N4O.C26H28N6O.C26H27N5O.C24H23N5O2.C24H22N4O2.C24H24N4O.C24H23N3O2.C23H20FN3O2.C22H19N5O2.C22H19N3O.C21H17N3O/c1-20(2)18-33-8-10-34(11-9-33)28-14-22(6-7-29-28)27(35)15-26-13-24-12-21(4-5-23(24)16-30-26)25-17-31-32(3)19-25;1-30-8-10-32(11-9-30)18-20-4-3-5-22(12-20)27(33)15-26-14-24-13-21(6-7-23(24)16-28-26)25-17-29-31(2)19-25;1-30-10-8-19(9-11-30)20-4-3-5-22(12-20)27(32)15-26-14-24-13-21(6-7-23(24)16-28-26)25-17-29-31(2)18-25;1-3-31-8-10-32(11-9-31)26-14-20(6-7-27-26)25(33)15-24-13-22-12-19(4-5-21(22)16-28-24)23-17-29-30(2)18-23;1-29-8-10-31(11-9-29)25-5-3-4-20(14-25)26(32)15-24-13-22-12-19(6-7-21(22)16-27-24)23-17-28-30(2)18-23;1-28-14-22(15-28)31-24-9-17(5-6-25-24)23(30)10-21-8-19-7-16(3-4-18(19)11-26-21)20-12-27-29(2)13-20;1-28-15-20(14-27-28)16-5-6-18-13-26-21(10-19(18)9-16)12-23(29)17-7-8-25-24(11-17)30-22-3-2-4-22;1-27(2)15-17-4-6-18(7-5-17)24(29)12-23-11-21-10-19(8-9-20(21)13-25-23)22-14-26-28(3)16-22;1-16(2)29-23-8-6-17(7-9-23)24(28)12-22-11-20-10-18(4-5-19(20)13-25-22)21-14-26-27(3)15-21;1-15(24)29-22-7-5-16(6-8-22)23(28)11-21-10-19-9-17(3-4-18(19)12-25-21)20-13-26-27(2)14-20;1-23-22(29)20-6-5-16(11-25-20)21(28)9-19-8-17-7-14(3-4-15(17)10-24-19)18-12-26-27(2)13-18;1-15-3-5-16(6-4-15)22(26)11-21-10-19-9-17(7-8-18(19)12-23-21)20-13-24-25(2)14-20;1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15/h4-7,12-14,16-17,19-20H,8-11,15,18H2,1-3H3;3-7,12-14,16-17,19H,8-11,15,18H2,1-2H3;3-7,12-14,16-19H,8-11,15H2,1-2H3;4-7,12-14,16-18H,3,8-11,15H2,1-2H3;3-7,12-14,16-18H,8-11,15H2,1-2H3;3-9,11-13,22H,10,14-15H2,1-2H3;5-11,13-15,22H,2-4,12H2,1H3;4-11,13-14,16H,12,15H2,1-3H3;4-11,13-16H,12H2,1-3H3;3-10,12-15H,11H2,1-2H3;3-8,10-13H,9H2,1-2H3,(H,23,29);3-10,12-14H,11H2,1-2H3;2-10,12-14H,11H2,1H3 |
| InChIKey | FGYIJEZFJDYLEJ-UHFFFAOYSA-N |
| XLogP | 52.83 |
| TPSA | 787.25 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 73 |
| Rotatable Bonds | 72 |
| Heavy Atoms | 393 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5224.36 |
| LogP ≤ 5 | 52.83 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 73 |