C141H173N35O7 — CID 167554785
3-(1-aminoisoquinolin-6-yl)-1-[5-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxamide;3-(1-aminoisoquinolin-6-yl)-1-[5-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[3-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[6-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one (PubChem CID 167554785) has the molecular formula C141H173N35O7 and a molecular weight of 2470.17 g/mol. Its IUPAC name is 3-(1-aminoisoquinolin-6-yl)-1-[5-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxamide;3-(1-aminoisoquinolin-6-yl)-1-[5-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[3-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[6-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one.
| Compound Name | 3-(1-aminoisoquinolin-6-yl)-1-[5-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxamide;3-(1-aminoisoquinolin-6-yl)-1-[5-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[3-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[6-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one |
|---|---|
| PubChem CID | 167554785 |
| Molecular Formula | C141H173N35O7 |
| Molecular Weight | 2470.17 g/mol |
| Exact Mass | 2468.43 |
| IUPAC Name | 3-(1-aminoisoquinolin-6-yl)-1-[5-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(1-methylpiperidin-4-yl)methylamino]pyridine-3-carboxamide;3-(1-aminoisoquinolin-6-yl)-1-[5-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[3-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[6-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one |
| SMILES | CN1CCC(CCc2cnc(C(=O)CCc3ccc4c(N)nccc4c3)cn2)CC1.CN1CCC(CNc2cncc(C(=O)CCc3ccc4c(N)nccc4c3)n2)CC1.CN1CCC(CNc2ncccc2C(=O)NCc2ccc3c(N)nccc3c2)CC1.CN1CCC(CNc2nccnc2C(=O)CCc2ccc3c(N)nccc3c2)CC1.COc1cnc(C(=O)CCc2ccc3c(N)nccc3c2)c(NCC2CCN(C)CC2)n1.Cc1cnc(NCC2CCN(C)CC2)c(C(=O)NCc2ccc3c(N)nccc3c2)c1 |
| InChI | InChI=1S/C24H30N6O2.C24H30N6O.C24H29N5O.3C23H28N6O/c1-30-11-8-17(9-12-30)14-28-24-22(27-15-21(29-24)32-2)20(31)6-4-16-3-5-19-18(13-16)7-10-26-23(19)25;1-16-11-21(23(27-13-16)28-14-17-6-9-30(2)10-7-17)24(31)29-15-18-3-4-20-19(12-18)5-8-26-22(20)25;1-29-12-9-17(10-13-29)2-5-20-15-28-22(16-27-20)23(30)7-4-18-3-6-21-19(14-18)8-11-26-24(21)25;1-29-12-7-17(8-13-29)15-28-23-21(25-10-11-27-23)20(30)5-3-16-2-4-19-18(14-16)6-9-26-22(19)24;1-29-10-7-17(8-11-29)13-27-22-15-25-14-20(28-22)21(30)5-3-16-2-4-19-18(12-16)6-9-26-23(19)24;1-29-11-7-16(8-12-29)14-27-22-20(3-2-9-26-22)23(30)28-15-17-4-5-19-18(13-17)6-10-25-21(19)24/h3,5,7,10,13,15,17H,4,6,8-9,11-12,14H2,1-2H3,(H2,25,26)(H,28,29);3-5,8,11-13,17H,6-7,9-10,14-15H2,1-2H3,(H2,25,26)(H,27,28)(H,29,31);3,6,8,11,14-17H,2,4-5,7,9-10,12-13H2,1H3,(H2,25,26);2,4,6,9-11,14,17H,3,5,7-8,12-13,15H2,1H3,(H2,24,26)(H,27,28);2,4,6,9,12,14-15,17H,3,5,7-8,10-11,13H2,1H3,(H2,24,26)(H,27,28);2-6,9-10,13,16H,7-8,11-12,14-15H2,1H3,(H2,24,25)(H,26,27)(H,28,30) |
| InChIKey | CWFYNUMQZOLPQW-UHFFFAOYSA-N |
| XLogP | 19.33 |
| TPSA | 577.66 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2470.17 |
| LogP ≤ 5 | 19.33 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 40 |