C132H136F12N26O16 — CID 165082016
N-[2-(3-acetylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide;N-[2-[3-(hydroxymethyl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide;3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylic acid (PubChem CID 165082016) has the molecular formula C132H136F12N26O16 and a molecular weight of 2570.68 g/mol. Its IUPAC name is N-[2-(3-acetylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide;N-[2-[3-(hydroxymethyl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide;3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylic acid.
| Compound Name | N-[2-(3-acetylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide;N-[2-[3-(hydroxymethyl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide;3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylic acid |
|---|---|
| PubChem CID | 165082016 |
| Molecular Formula | C132H136F12N26O16 |
| Molecular Weight | 2570.68 g/mol |
| Exact Mass | 2569.04 |
| IUPAC Name | N-[2-(3-acetylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide;N-[2-[3-(hydroxymethyl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide;3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylic acid |
| SMILES | CN(C)c1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CC(C(=O)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C)n1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cnc2ccccc2n1.COc1cc2nn(C3CC(C(C)=O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CC(CO)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1 |
| InChI | InChI=1S/C24H28F3N5O.C24H25N5O3.C23H28N4O2.C21H19F3N4O3.C20H17F3N4O4.C20H19F3N4O3/c1-23(2,3)15-10-16(11-15)32-13-14-9-19(20(31(4)5)12-18(14)30-32)29-22(33)17-7-6-8-21(28-17)24(25,26)27;1-24(2,31)15-9-16(10-15)29-13-14-8-20(22(32-3)11-19(14)28-29)27-23(30)21-12-25-17-6-4-5-7-18(17)26-21;1-14-7-6-8-18(24-14)22(28)25-20-9-15-13-27(26-19(15)12-21(20)29-5)17-10-16(11-17)23(2,3)4;1-11(29)12-6-14(7-12)28-10-13-8-17(18(31-2)9-16(13)27-28)26-20(30)15-4-3-5-19(25-15)21(22,23)24;1-31-16-8-14-11(9-27(26-14)12-5-10(6-12)19(29)30)7-15(16)25-18(28)13-3-2-4-17(24-13)20(21,22)23;1-30-17-8-15-12(9-27(26-15)13-5-11(6-13)10-28)7-16(17)25-19(29)14-3-2-4-18(24-14)20(21,22)23/h6-9,12-13,15-16H,10-11H2,1-5H3,(H,29,33);4-8,11-13,15-16,31H,9-10H2,1-3H3,(H,27,30);6-9,12-13,16-17H,10-11H2,1-5H3,(H,25,28);3-5,8-10,12,14H,6-7H2,1-2H3,(H,26,30);2-4,7-10,12H,5-6H2,1H3,(H,25,28)(H,29,30);2-4,7-9,11,13,28H,5-6,10H2,1H3,(H,25,29) |
| InChIKey | VGVUQZBMOFQHTI-UHFFFAOYSA-N |
| XLogP | 26.38 |
| TPSA | 515.97 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2570.68 |
| LogP ≤ 5 | 26.38 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 35 |