C86H77N25O7 — CID 158397388
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide (PubChem CID 158397388) has the molecular formula C86H77N25O7 and a molecular weight of 1572.73 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158397388 |
| Molecular Formula | C86H77N25O7 |
| Molecular Weight | 1572.73 g/mol |
| Exact Mass | 1571.64 |
| IUPAC Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide |
| SMILES | CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccn4)c3c2)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccn4)c3c2)c1.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12 |
| InChI | InChI=1S/C22H18N6O2.C22H20N6O2.C21H19N7O2.C21H20N6O/c29-21(13-4-5-13)25-16-9-15(11-23-12-16)14-6-7-18-17(10-14)20(28-27-18)22(30)26-19-3-1-2-8-24-19;29-22(25-20-3-1-2-6-24-20)21-18-12-15(4-5-19(18)26-27-21)16-11-17(14-23-13-16)28-7-9-30-10-8-28;1-28(2)21(30)24-15-9-14(11-22-12-15)13-6-7-17-16(10-13)19(27-26-17)20(29)25-18-5-3-4-8-23-18;1-27(2)13-14-9-16(12-22-11-14)15-6-7-18-17(10-15)20(26-25-18)21(28)24-19-5-3-4-8-23-19/h1-3,6-13H,4-5H2,(H,25,29)(H,27,28)(H,24,26,30);1-6,11-14H,7-10H2,(H,26,27)(H,24,25,29);3-12H,1-2H3,(H,24,30)(H,26,27)(H,23,25,29);3-12H,13H2,1-2H3,(H,25,26)(H,23,24,28) |
| InChIKey | GXRGXUWIBLJFGU-UHFFFAOYSA-N |
| XLogP | 13.43 |
| TPSA | 411.39 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 118 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1572.73 |
| LogP ≤ 5 | 13.43 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 21 |