C93H80N34O5 — CID 159097328
6-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-1H-pyrazol-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide (PubChem CID 159097328) has the molecular formula C93H80N34O5 and a molecular weight of 1753.90 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-1H-pyrazol-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide.
| Compound Name | 6-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-1H-pyrazol-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 159097328 |
| Molecular Formula | C93H80N34O5 |
| Molecular Weight | 1753.90 g/mol |
| Exact Mass | 1752.71 |
| IUPAC Name | 6-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-1H-pyrazol-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide |
| SMILES | Cc1cc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)n[nH]1.Cn1cc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)cn1.Cn1cc(NC(=O)c2cccc(-c3ccc[nH]3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3ccn[nH]3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1 |
| InChI | InChI=1S/2C19H17N7O.C19H16N6O.2C18H15N7O/c1-25-11-13(10-21-25)14-7-5-8-16(22-14)19(27)23-17-12-26(2)24-18(17)15-6-3-4-9-20-15;1-12-10-16(24-23-12)13-7-5-8-15(21-13)19(27)22-17-11-26(2)25-18(17)14-6-3-4-9-20-14;1-25-12-17(18(24-25)15-6-2-3-10-21-15)23-19(26)16-8-4-7-14(22-16)13-9-5-11-20-13;1-25-11-16(17(24-25)14-5-2-3-9-19-14)22-18(26)15-7-4-6-12(21-15)13-8-10-20-23-13;1-25-11-16(17(24-25)14-5-2-3-8-19-14)23-18(26)15-7-4-6-13(22-15)12-9-20-21-10-12/h3-12H,1-2H3,(H,23,27);3-11H,1-2H3,(H,22,27)(H,23,24);2-12,20H,1H3,(H,23,26);2-11H,1H3,(H,20,23)(H,22,26);2-11H,1H3,(H,20,21)(H,23,26) |
| InChIKey | KCVHKQXGGZFKLV-UHFFFAOYSA-N |
| XLogP | 13.52 |
| TPSA | 483.15 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 132 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1753.90 |
| LogP ≤ 5 | 13.52 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 30 |