C96H93N27O7 — CID 162222718
N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[5-(3-methyl-5-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 162222718) has the molecular formula C96H93N27O7 and a molecular weight of 1736.98 g/mol. Its IUPAC name is N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[5-(3-methyl-5-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
| Compound Name | N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[5-(3-methyl-5-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 162222718 |
| Molecular Formula | C96H93N27O7 |
| Molecular Weight | 1736.98 g/mol |
| Exact Mass | 1735.78 |
| IUPAC Name | N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[5-(3-methyl-5-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide |
| SMILES | Cc1cc(-c2cccnc2)n(-c2ccc(NC(=O)c3cccnc3)nc2)n1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(CCN3CCCC3)nc2)nc1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)nc1.Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OCCN3CCOCC3)nc2)nc1 |
| InChI | InChI=1S/C26H27N7O3.C26H27N7O.C24H23N7O2.C20H16N6O/c1-19-15-23(20-3-2-8-27-16-20)31-33(19)22-5-6-24(28-18-22)30-26(34)21-4-7-25(29-17-21)36-14-11-32-9-12-35-13-10-32;1-19-15-24(20-5-4-11-27-16-20)31-33(19)23-8-9-25(29-18-23)30-26(34)21-6-7-22(28-17-21)10-14-32-12-2-3-13-32;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;1-14-10-18(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/h2-8,15-18H,9-14H2,1H3,(H,28,30,34);4-9,11,15-18H,2-3,10,12-14H2,1H3,(H,29,30,34);2-8,13-16H,9-12H2,1H3,(H,26,28,32);2-13H,1H3,(H,23,24,27) |
| InChIKey | ZUIPQTUIYPNUEX-UHFFFAOYSA-N |
| XLogP | 13.33 |
| TPSA | 379.77 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 130 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1736.98 |
| LogP ≤ 5 | 13.33 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 30 |