C113H123F9N22O12 — CID 164977212
N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-ethylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 164977212) has the molecular formula C113H123F9N22O12 and a molecular weight of 2152.35 g/mol. Its IUPAC name is N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-ethylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-ethylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 164977212 |
| Molecular Formula | C113H123F9N22O12 |
| Molecular Weight | 2152.35 g/mol |
| Exact Mass | 2150.95 |
| IUPAC Name | N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-ethylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | CCC1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC)cc3n2)C1.CN(C)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cnc2ccccc2n1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1ccc(C(F)(F)F)nc1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C)n1 |
| InChI | InChI=1S/C25H27N5O2.C23H26F3N5O2.C22H23F3N4O3.C22H26N4O3.C21H21F3N4O2/c1-25(2,3)16-10-17(11-16)30-14-15-9-21(23(32-4)12-20(15)29-30)28-24(31)22-13-26-18-7-5-6-8-19(18)27-22;1-22(2,33)14-9-15(10-14)31-12-13-8-18(19(30(3)4)11-17(13)29-31)28-21(32)16-6-5-7-20(27-16)23(24,25)26;1-21(2,31)14-7-15(8-14)29-11-13-6-17(18(32-3)9-16(13)28-29)27-20(30)12-4-5-19(26-10-12)22(23,24)25;1-13-6-5-7-17(23-13)21(27)24-19-8-14-12-26(25-18(14)11-20(19)29-4)16-9-15(10-16)22(2,3)28;1-3-12-7-14(8-12)28-11-13-9-17(18(30-2)10-16(13)27-28)26-20(29)15-5-4-6-19(25-15)21(22,23)24/h5-9,12-14,16-17H,10-11H2,1-4H3,(H,28,31);5-8,11-12,14-15,33H,9-10H2,1-4H3,(H,28,32);4-6,9-11,14-15,31H,7-8H2,1-3H3,(H,27,30);5-8,11-12,15-16,28H,9-10H2,1-4H3,(H,24,27);4-6,9-12,14H,3,7-8H2,1-2H3,(H,26,29) |
| InChIKey | DYNSNEFJCKWEIR-UHFFFAOYSA-N |
| XLogP | 22.96 |
| TPSA | 412.79 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2152.35 |
| LogP ≤ 5 | 22.96 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 29 |