C103H102Br2N32O7 — CID 157221408
6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 157221408) has the molecular formula C103H102Br2N32O7 and a molecular weight of 2059.97 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
| Compound Name | 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157221408 |
| Molecular Formula | C103H102Br2N32O7 |
| Molecular Weight | 2059.97 g/mol |
| Exact Mass | 2056.70 |
| IUPAC Name | 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide |
| SMILES | CC(C)n1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.CC(C)n1cc(NC(=O)c2cccc(Br)n2)c(-c2ccccn2)n1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C(C)C)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(Br)n1 |
| InChI | InChI=1S/C23H24N8O2.C23H22N6O.C20H21BrN6O2.C20H19N7O.C17H16BrN5O/c32-23(20-6-3-5-18(27-20)17-14-25-26-15-17)28-21-16-31(9-8-30-10-12-33-13-11-30)29-22(21)19-4-1-2-7-24-19;1-15(2)29-14-21(22(28-29)19-7-4-5-10-25-19)27-23(30)20-9-6-8-18(26-20)17-11-16(3)12-24-13-17;21-18-6-3-5-16(23-18)20(28)24-17-14-27(9-8-26-10-12-29-13-11-26)25-19(17)15-4-1-2-7-22-15;1-13(2)27-12-18(19(26-27)16-6-3-4-9-21-16)25-20(28)17-8-5-7-15(24-17)14-10-22-23-11-14;1-11(2)23-10-14(16(22-23)12-6-3-4-9-19-12)21-17(24)13-7-5-8-15(18)20-13/h1-7,14-16H,8-13H2,(H,25,26)(H,28,32);4-15H,1-3H3,(H,27,30);1-7,14H,8-13H2,(H,24,28);3-13H,1-2H3,(H,22,23)(H,25,28);3-11H,1-2H3,(H,21,24) |
| InChIKey | ATAOTIUMMKEZRV-UHFFFAOYSA-N |
| XLogP | 17.04 |
| TPSA | 458.69 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2059.97 |
| LogP ≤ 5 | 17.04 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|