C74H78N24O4 — CID 157090159
N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 157090159) has the molecular formula C74H78N24O4 and a molecular weight of 1367.60 g/mol. Its IUPAC name is N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide.
| Compound Name | N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157090159 |
| Molecular Formula | C74H78N24O4 |
| Molecular Weight | 1367.60 g/mol |
| Exact Mass | 1366.66 |
| IUPAC Name | N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide |
| SMILES | CN1CCN(c2ccc(-c3nn(C)cc3NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)CC1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(N4CCN(C)CC4)cn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(N4CCOCC4)cn3)n2)c1 |
| InChI | InChI=1S/C26H28N8O.C25H25N7O2.C23H25N9O/c1-18-13-19(15-27-14-18)21-5-4-6-23(29-21)26(35)30-24-17-33(3)31-25(24)22-8-7-20(16-28-22)34-11-9-32(2)10-12-34;1-17-12-18(14-26-13-17)20-4-3-5-22(28-20)25(33)29-23-16-31(2)30-24(23)21-7-6-19(15-27-21)32-8-10-34-11-9-32;1-30-10-12-32(13-11-30)16-6-7-19(24-14-16)22-21(15-31(2)29-22)27-23(33)20-5-3-4-17(26-20)18-8-9-25-28-18/h4-8,13-17H,9-12H2,1-3H3,(H,30,35);3-7,12-16H,8-11H2,1-2H3,(H,29,33);3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,27,33) |
| InChIKey | AEOLQUFNLJWVOU-UHFFFAOYSA-N |
| XLogP | 8.86 |
| TPSA | 297.99 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 102 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1367.60 |
| LogP ≤ 5 | 8.86 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 24 |