C128H121F7N26O9 — CID 158198897
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane (PubChem CID 158198897) has the molecular formula C128H121F7N26O9 and a molecular weight of 2300.53 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane.
| Compound Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane |
|---|---|
| PubChem CID | 158198897 |
| Molecular Formula | C128H121F7N26O9 |
| Molecular Weight | 2300.53 g/mol |
| Exact Mass | 2298.97 |
| IUPAC Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane |
| SMILES | C.CCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cc1.CCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3c2)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5ccccc5F)nc4)c3c2)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12 |
| InChI | InChI=1S/C27H23FN6O2.C27H29N5O2.C26H27N5O2.C24H18F3N5O2.C23H20F3N5O.CH4/c1-34(2)16-17-11-19(14-29-13-17)18-7-9-23-21(12-18)26(33-32-23)27(35)31-20-8-10-25(30-15-20)36-24-6-4-3-5-22(24)28;1-2-34-23-9-7-22(8-10-23)29-27(33)26-24-15-20(6-11-25(24)30-31-26)21-14-19(16-28-17-21)18-32-12-4-3-5-13-32;1-2-33-22-8-6-21(7-9-22)28-26(32)25-23-14-19(5-10-24(23)29-30-25)20-13-18(15-27-16-20)17-31-11-3-4-12-31;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;1-31(2)13-14-9-16(12-27-11-14)15-3-8-20-19(10-15)21(30-29-20)22(32)28-18-6-4-17(5-7-18)23(24,25)26;/h3-15H,16H2,1-2H3,(H,31,35)(H,32,33);6-11,14-17H,2-5,12-13,18H2,1H3,(H,29,33)(H,30,31);5-10,13-16H,2-4,11-12,17H2,1H3,(H,28,32)(H,29,30);3-13H,1-2H2,(H,29,34)(H,30,33)(H,31,32);3-12H,13H2,1-2H3,(H,28,32)(H,29,30);1H4 |
| InChIKey | GARMWINAEFMYRB-UHFFFAOYSA-N |
| XLogP | 26.24 |
| TPSA | 435.99 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2300.53 |
| LogP ≤ 5 | 26.24 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 24 |