C119H135F15N22O10 — CID 165020170
N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[6-(dimethylamino)-2-(4,4-dimethylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4,4-dimethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165020170) has the molecular formula C119H135F15N22O10 and a molecular weight of 2318.50 g/mol. Its IUPAC name is N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[6-(dimethylamino)-2-(4,4-dimethylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4,4-dimethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[6-(dimethylamino)-2-(4,4-dimethylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4,4-dimethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 165020170 |
| Molecular Formula | C119H135F15N22O10 |
| Molecular Weight | 2318.50 g/mol |
| Exact Mass | 2317.05 |
| IUPAC Name | N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[6-(dimethylamino)-2-(4,4-dimethylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4,4-dimethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CC1(C)CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1.CC1(O)CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1.CN(C)c1cc2nn(C3CCC(C)(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CN(C)c1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cncc(C(F)(F)F)c1 |
| InChI | InChI=1S/C25H29F3N4O2.C24H28F3N5O.C24H27F3N4O3.C23H26F3N5O2.C23H25F3N4O2/c1-23(2)10-8-16(9-11-23)32-14-15-12-20(17(24(3,4)34)13-19(15)31-32)30-22(33)18-6-5-7-21(29-18)25(26,27)28;1-23(2)10-8-16(9-11-23)32-14-15-12-19(20(31(3)4)13-18(15)30-32)29-22(33)17-6-5-7-21(28-17)24(25,26)27;1-22(2,33)16-12-18-14(13-31(30-18)15-7-9-23(3,34)10-8-15)11-19(16)29-21(32)17-5-4-6-20(28-17)24(25,26)27;1-22(33)9-7-15(8-10-22)31-13-14-11-18(19(30(2)3)12-17(14)29-31)28-21(32)16-5-4-6-20(27-16)23(24,25)26;1-22(2,3)15-7-17(8-15)30-12-14-6-19(20(32-4)9-18(14)29-30)28-21(31)13-5-16(11-27-10-13)23(24,25)26/h5-7,12-14,16,34H,8-11H2,1-4H3,(H,30,33);5-7,12-14,16H,8-11H2,1-4H3,(H,29,33);4-6,11-13,15,33-34H,7-10H2,1-3H3,(H,29,32);4-6,11-13,15,33H,7-10H2,1-3H3,(H,28,32);5-6,9-12,15,17H,7-8H2,1-4H3,(H,28,31) |
| InChIKey | LASADBTYGYYRQS-UHFFFAOYSA-N |
| XLogP | 27.12 |
| TPSA | 395.68 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2318.50 |
| LogP ≤ 5 | 27.12 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 27 |