C116H113N35O6 — CID 159851066
6-[5-(tert-butylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(methylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 159851066) has the molecular formula C116H113N35O6 and a molecular weight of 2093.42 g/mol. Its IUPAC name is 6-[5-(tert-butylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(methylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide.
| Compound Name | 6-[5-(tert-butylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(methylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 159851066 |
| Molecular Formula | C116H113N35O6 |
| Molecular Weight | 2093.42 g/mol |
| Exact Mass | 2091.96 |
| IUPAC Name | 6-[5-(tert-butylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(methylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(propan-2-ylamino)-3-pyridinyl]pyridine-2-carboxamide |
| SMILES | CC(C)Nc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)c1.CNc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)c1.Cn1cc(NC(=O)c2cccc(-c3cncc(NC(C)(C)C)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3cncc(NC4CC4)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3cncc(NC4CCOCC4)c3)n2)c(-c2ccccn2)n1 |
| InChI | InChI=1S/C25H25N7O2.C24H25N7O.C23H21N7O.C23H23N7O.C21H19N7O/c1-32-16-23(24(31-32)21-5-2-3-10-27-21)30-25(33)22-7-4-6-20(29-22)17-13-19(15-26-14-17)28-18-8-11-34-12-9-18;1-24(2,3)29-17-12-16(13-25-14-17)18-9-7-10-20(27-18)23(32)28-21-15-31(4)30-22(21)19-8-5-6-11-26-19;1-30-14-21(22(29-30)19-5-2-3-10-25-19)28-23(31)20-7-4-6-18(27-20)15-11-17(13-24-12-15)26-16-8-9-16;1-15(2)26-17-11-16(12-24-13-17)18-8-6-9-20(27-18)23(31)28-21-14-30(3)29-22(21)19-7-4-5-10-25-19;1-22-15-10-14(11-23-12-15)16-7-5-8-18(25-16)21(29)26-19-13-28(2)27-20(19)17-6-3-4-9-24-17/h2-7,10,13-16,18,28H,8-9,11-12H2,1H3,(H,30,33);5-15,29H,1-4H3,(H,28,32);2-7,10-14,16,26H,8-9H2,1H3,(H,28,31);4-15,26H,1-3H3,(H,28,31);3-13,22H,1-2H3,(H,26,29) |
| InChIKey | NPYBVFFBGSMNGT-UHFFFAOYSA-N |
| XLogP | 19.19 |
| TPSA | 497.33 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2093.42 |
| LogP ≤ 5 | 19.19 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 36 |