C123H135F17N22O12 — CID 165031557
N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165031557) has the molecular formula C123H135F17N22O12 and a molecular weight of 2436.54 g/mol. Its IUPAC name is N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 165031557 |
| Molecular Formula | C123H135F17N22O12 |
| Molecular Weight | 2436.54 g/mol |
| Exact Mass | 2435.04 |
| IUPAC Name | N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-[(1-methylpiperidin-4-yl)methoxy]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(oxolan-3-yloxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CC(C)(C)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC4CCOC4)cc3n2)C1.CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)C1.CN1CCC(COc2cc3nn(C4CC(C(C)(C)C)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(CCN3CC(F)(F)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1 |
| InChI | InChI=1S/C29H36F3N5O2.C26H29F3N4O3.C25H27F3N4O3.C23H25F3N4O2.C20H18F5N5O2/c1-28(2,3)20-13-21(14-20)37-16-19-12-24(34-27(38)22-6-5-7-26(33-22)29(30,31)32)25(15-23(19)35-37)39-17-18-8-10-36(4)11-9-18;1-25(2,3)16-10-17(11-16)33-13-15-9-21(22(12-20(15)32-33)36-18-7-8-35-14-18)31-24(34)19-5-4-6-23(30-19)26(27,28)29;1-24(2,34)16-9-17(10-16)32-12-15-8-20(21(11-19(15)31-32)35-13-14-6-7-14)30-23(33)18-4-3-5-22(29-18)25(26,27)28;1-22(2,3)14-9-15(10-14)30-12-13-8-18(19(32-4)11-17(13)29-30)28-21(31)16-6-5-7-20(27-16)23(24,25)26;1-32-16-8-14-12(9-30(28-14)6-5-29-10-19(21,22)11-29)7-15(16)27-18(31)13-3-2-4-17(26-13)20(23,24)25/h5-7,12,15-16,18,20-21H,8-11,13-14,17H2,1-4H3,(H,34,38);4-6,9,12-13,16-18H,7-8,10-11,14H2,1-3H3,(H,31,34);3-5,8,11-12,14,16-17,34H,6-7,9-10,13H2,1-2H3,(H,30,33);5-8,11-12,14-15H,9-10H2,1-4H3,(H,28,31);2-4,7-9H,5-6,10-11H2,1H3,(H,27,31) |
| InChIKey | MSSDKNBVCINHQO-UHFFFAOYSA-N |
| XLogP | 26.87 |
| TPSA | 381.14 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2436.54 |
| LogP ≤ 5 | 26.87 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 29 |