C91H83F3N24O6 — CID 161410519
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-(1,5-dimethylpyrazol-3-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 161410519) has the molecular formula C91H83F3N24O6 and a molecular weight of 1665.82 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-(1,5-dimethylpyrazol-3-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-(1,5-dimethylpyrazol-3-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 161410519 |
| Molecular Formula | C91H83F3N24O6 |
| Molecular Weight | 1665.82 g/mol |
| Exact Mass | 1664.69 |
| IUPAC Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-(1,5-dimethylpyrazol-3-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)c1.CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)C6CC6)c5)cc34)cn2)CC1.Cc1cc(NC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)nn1C.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12 |
| InChI | InChI=1S/C27H28N8O2.C24H18F3N5O2.C22H21N5O.C18H16N6O/c1-34-8-10-35(11-9-34)24-7-5-20(16-29-24)30-27(37)25-22-13-18(4-6-23(22)32-33-25)19-12-21(15-28-14-19)31-26(36)17-2-3-17;25-24(26,27)16-4-6-17(7-5-16)29-23(34)21-19-10-14(3-8-20(19)31-32-21)15-9-18(12-28-11-15)30-22(33)13-1-2-13;1-27(2)14-15-10-17(13-23-12-15)16-8-9-20-19(11-16)21(26-25-20)22(28)24-18-6-4-3-5-7-18;1-11-8-16(23-24(11)2)20-18(25)17-14-9-12(5-6-15(14)21-22-17)13-4-3-7-19-10-13/h4-7,12-17H,2-3,8-11H2,1H3,(H,30,37)(H,31,36)(H,32,33);3-13H,1-2H2,(H,29,34)(H,30,33)(H,31,32);3-13H,14H2,1-2H3,(H,24,28)(H,25,26);3-10H,1-2H3,(H,21,22)(H,20,23,25) |
| InChIKey | VVKFXQGWNXMZLP-UHFFFAOYSA-N |
| XLogP | 15.47 |
| TPSA | 381.31 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 124 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1665.82 |
| LogP ≤ 5 | 15.47 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |