C114H97BrN32O8 — CID 159605730
5-bromo-N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;bis(N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide);N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-phenoxypyridine-3-carboxamide;N-[5-(3-methyl-5-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 159605730) has the molecular formula C114H97BrN32O8 and a molecular weight of 2123.15 g/mol. Its IUPAC name is 5-bromo-N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;bis(N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide);N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-phenoxypyridine-3-carboxamide;N-[5-(3-methyl-5-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide.
| Compound Name | 5-bromo-N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;bis(N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide);N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-phenoxypyridine-3-carboxamide;N-[5-(3-methyl-5-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159605730 |
| Molecular Formula | C114H97BrN32O8 |
| Molecular Weight | 2123.15 g/mol |
| Exact Mass | 2120.74 |
| IUPAC Name | 5-bromo-N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;bis(N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide);N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-phenoxypyridine-3-carboxamide;N-[5-(3-methyl-5-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide |
| SMILES | Cc1cc(-c2cccnc2)n(-c2ccc(NC(=O)c3cccnc3)nc2)n1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)nc1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)nc1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)nc1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2cncc(Br)c2)nc1 |
| InChI | InChI=1S/C26H20N6O2.2C24H23N7O2.C20H15BrN6O.C20H16N6O/c1-18-14-23(19-6-5-13-27-15-19)31-32(18)21-10-11-24(28-17-21)30-26(33)20-9-12-25(29-16-20)34-22-7-3-2-4-8-22;2*1-17-13-21(18-3-2-8-25-14-18)29-31(17)20-5-6-22(26-16-20)28-24(32)19-4-7-23(27-15-19)30-9-11-33-12-10-30;1-13-7-18(14-3-2-6-22-9-14)26-27(13)17-4-5-19(24-12-17)25-20(28)15-8-16(21)11-23-10-15;1-14-10-18(15-4-2-8-21-11-15)26(25-14)17-6-7-19(23-13-17)24-20(27)16-5-3-9-22-12-16/h2-17H,1H3,(H,28,30,33);2*2-8,13-16H,9-12H2,1H3,(H,26,28,32);2-12H,1H3,(H,24,25,28);2-13H,1H3,(H,23,24,27) |
| InChIKey | MMBAYVIDTCIJPU-UHFFFAOYSA-N |
| XLogP | 18.65 |
| TPSA | 462.12 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 155 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2123.15 |
| LogP ≤ 5 | 18.65 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 35 |