C354H322Cl2F2N90O15S — CID 162122270
N-[1-amino-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[5-chloro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-chloro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[4-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[5-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-5-carboxamide;bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3H-indole-7-carboxamide);bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]naphthalene-2-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-3-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-7-carboxamide (PubChem CID 162122270) has the molecular formula C354H322Cl2F2N90O15S and a molecular weight of 6218.05 g/mol. Its IUPAC name is N-[1-amino-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[5-chloro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-chloro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[4-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[5-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-5-carboxamide;bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3H-indole-7-carboxamide);bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]naphthalene-2-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-3-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-7-carboxamide.
| Compound Name | N-[1-amino-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[5-chloro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-chloro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[4-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[5-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-5-carboxamide;bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3H-indole-7-carboxamide);bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]naphthalene-2-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-3-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-7-carboxamide |
|---|---|
| PubChem CID | 162122270 |
| Molecular Formula | C354H322Cl2F2N90O15S |
| Molecular Weight | 6218.05 g/mol |
| Exact Mass | 6212.63 |
| IUPAC Name | N-[1-amino-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[5-chloro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-chloro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[4-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[5-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[7-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-5-carboxamide;bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3H-indole-7-carboxamide);bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]naphthalene-2-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-3-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]quinoline-7-carboxamide |
| SMILES | CN1CCN(c2cc(C(=O)Nc3cc4c(Cl)c(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)c(Cl)cc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)c(F)cc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)cc(F)c4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4c(N)n3)ccn2)CC1.Cc1c(-c2cnn(C)c2)ccc2cnc(NC(=O)c3ccnc(N4CCN(C)CC4)c3)cc12.Cc1c(NC(=O)c2ccnc(N3CCN(C)CC3)c2)ncc2ccc(-c3cnn(C)c3)cc12.Cc1cc2cnc(NC(=O)c3ccnc(N4CCN(C)CC4)c3)cc2cc1-c1cnn(C)c1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccccc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccccc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5cccnc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5scnc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cccc5c4N=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cccc5c4N=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cnc5ccccc5c4)cc3c2)cn1 |
| InChI | InChI=1S/3C25H27N7O.2C24H24ClN7O.2C24H24FN7O.C24H26N8O.2C24H18N4O.2C23H17N5O.2C22H17N5O.C21H15N5OS/c1-17-10-20-14-27-23(12-19(20)11-22(17)21-15-28-31(3)16-21)29-25(33)18-4-5-26-24(13-18)32-8-6-30(2)7-9-32;1-17-21(20-15-28-31(3)16-20)5-4-19-14-27-23(13-22(17)19)29-25(33)18-6-7-26-24(12-18)32-10-8-30(2)9-11-32;1-17-22-12-18(21-15-28-31(3)16-21)4-5-20(22)14-27-24(17)29-25(33)19-6-7-26-23(13-19)32-10-8-30(2)9-11-32;1-30-5-7-32(8-6-30)23-12-16(3-4-26-23)24(33)29-22-11-17-9-20(19-14-28-31(2)15-19)21(25)10-18(17)13-27-22;1-30-7-9-32(10-8-30)22-11-16(5-6-26-22)24(33)29-21-12-20-17(13-27-21)3-4-19(23(20)25)18-14-28-31(2)15-18;1-30-5-7-32(8-6-30)23-12-16(3-4-26-23)24(33)29-22-11-17-9-20(19-14-28-31(2)15-19)21(25)10-18(17)13-27-22;1-30-5-7-32(8-6-30)23-12-16(3-4-26-23)24(33)29-22-11-18-9-17(19-13-28-31(2)15-19)10-21(25)20(18)14-27-22;1-30-7-9-32(10-8-30)22-13-17(5-6-26-22)24(33)29-21-12-18-11-16(19-14-27-31(2)15-19)3-4-20(18)23(25)28-21;2*1-28-15-22(14-26-28)18-7-9-20-13-25-23(12-21(20)11-18)27-24(29)19-8-6-16-4-2-3-5-17(16)10-19;1-28-14-20(13-26-28)16-5-7-18-12-25-22(11-19(18)9-16)27-23(29)17-6-4-15-3-2-8-24-21(15)10-17;1-28-14-20(13-26-28)15-6-7-17-11-25-22(10-18(17)8-15)27-23(29)19-9-16-4-2-3-5-21(16)24-12-19;2*1-27-13-18(12-25-27)15-5-6-16-11-24-20(10-17(16)9-15)26-22(28)19-4-2-3-14-7-8-23-21(14)19;1-26-11-17(10-24-26)13-2-3-15-9-22-20(8-16(15)6-13)25-21(27)14-4-5-19-18(7-14)23-12-28-19/h4-5,10-16H,6-9H2,1-3H3,(H,27,29,33);2*4-7,12-16H,8-11H2,1-3H3,(H,27,29,33);3-4,9-15H,5-8H2,1-2H3,(H,27,29,33);3-6,11-15H,7-10H2,1-2H3,(H,27,29,33);2*3-4,9-15H,5-8H2,1-2H3,(H,27,29,33);3-6,11-15H,7-10H2,1-2H3,(H3,25,28,29,33);2*2-15H,1H3,(H,25,27,29);2*2-14H,1H3,(H,25,27,29);2*2-6,8-13H,7H2,1H3,(H,24,26,28);2-12H,1H3,(H,22,25,27) |
| InChIKey | ZHONGTFZQZMAJM-UHFFFAOYSA-N |
| XLogP | 58.11 |
| TPSA | 1141.52 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 91 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 464 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6218.05 |
| LogP ≤ 5 | 58.11 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 91 |