C130H138F14N28O13 — CID 165073577
N-[2-(3-tert-butylcyclobutyl)-6-cyanoindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-fluoropyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-4-(trifluoromethyl)pyrimidine-2-carboxamide;6-fluoro-N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide;N-[6-methoxy-2-(3-methoxycyclobutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165073577) has the molecular formula C130H138F14N28O13 and a molecular weight of 2566.69 g/mol. Its IUPAC name is N-[2-(3-tert-butylcyclobutyl)-6-cyanoindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-fluoropyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-4-(trifluoromethyl)pyrimidine-2-carboxamide;6-fluoro-N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide;N-[6-methoxy-2-(3-methoxycyclobutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | N-[2-(3-tert-butylcyclobutyl)-6-cyanoindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-fluoropyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-4-(trifluoromethyl)pyrimidine-2-carboxamide;6-fluoro-N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide;N-[6-methoxy-2-(3-methoxycyclobutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 165073577 |
| Molecular Formula | C130H138F14N28O13 |
| Molecular Weight | 2566.69 g/mol |
| Exact Mass | 2565.08 |
| IUPAC Name | N-[2-(3-tert-butylcyclobutyl)-6-cyanoindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-fluoropyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-4-(trifluoromethyl)pyrimidine-2-carboxamide;6-fluoro-N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide;N-[6-methoxy-2-(3-methoxycyclobutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CC(C)(C)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C#N)cc3n2)C1.CN(C)c1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(F)n1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1nccc(C(F)(F)F)n1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(F)n1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cncc(C(F)(F)F)n1.COc1cc2nn(C3CC(OC)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1 |
| InChI | InChI=1S/C23H22F3N5O.C23H28FN5O.C22H24F3N5O2.C21H22F3N5O3.C21H23FN4O3.C20H19F3N4O3/c1-22(2,3)15-9-16(10-15)31-12-14-8-18(13(11-27)7-19(14)30-31)29-21(32)17-5-4-6-20(28-17)23(24,25)26;1-23(2,3)15-10-16(11-15)29-13-14-9-19(20(28(4)5)12-18(14)27-29)26-22(30)17-7-6-8-21(24)25-17;1-21(2,3)13-8-14(9-13)30-11-12-7-16(17(32-4)10-15(12)29-30)27-20(31)19-26-6-5-18(28-19)22(23,24)25;1-20(2,31)12-5-13(6-12)29-10-11-4-15(17(32-3)7-14(11)28-29)27-19(30)16-8-25-9-18(26-16)21(22,23)24;1-21(2,28)13-8-14(9-13)26-11-12-7-17(18(29-3)10-16(12)25-26)24-20(27)15-5-4-6-19(22)23-15;1-29-13-7-12(8-13)27-10-11-6-16(17(30-2)9-15(11)26-27)25-19(28)14-4-3-5-18(24-14)20(21,22)23/h4-8,12,15-16H,9-10H2,1-3H3,(H,29,32);6-9,12-13,15-16H,10-11H2,1-5H3,(H,26,30);5-7,10-11,13-14H,8-9H2,1-4H3,(H,27,31);4,7-10,12-13,31H,5-6H2,1-3H3,(H,27,30);4-7,10-11,13-14,28H,8-9H2,1-3H3,(H,24,27);3-6,9-10,12-13H,7-8H2,1-2H3,(H,25,28) |
| InChIKey | TXWWYFZCEGIICK-UHFFFAOYSA-N |
| XLogP | 27.00 |
| TPSA | 498.28 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2566.69 |
| LogP ≤ 5 | 27.00 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|