C137H150F15N27O12 — CID 165036828
N-[2-(3-tert-butylcyclobutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)pyridine-2-carboxamide;6-cyano-N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]pyridine-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]pyrazolo[3,4-b]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165036828) has the molecular formula C137H150F15N27O12 and a molecular weight of 2651.85 g/mol. Its IUPAC name is N-[2-(3-tert-butylcyclobutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)pyridine-2-carboxamide;6-cyano-N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]pyridine-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]pyrazolo[3,4-b]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | N-[2-(3-tert-butylcyclobutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)pyridine-2-carboxamide;6-cyano-N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]pyridine-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]pyrazolo[3,4-b]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 165036828 |
| Molecular Formula | C137H150F15N27O12 |
| Molecular Weight | 2651.85 g/mol |
| Exact Mass | 2650.17 |
| IUPAC Name | N-[2-(3-tert-butylcyclobutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)pyridine-2-carboxamide;6-cyano-N-[6-(2-hydroxypropan-2-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]pyridine-2-carboxamide;N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]pyrazolo[3,4-b]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-fluoro-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CC(C)(C)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)C1.CC(C)(O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(F)cc3n2)C1.CC(C)(O)c1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CC(C)(O)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C#N)n1.CN(C)c1nc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C(F)F)n1 |
| InChI | InChI=1S/C25H29F3N4O2.C24H27N5O3.C23H26F2N4O2.C22H25F3N6O2.C22H23F3N4O.C21H20F4N4O2/c1-23(2,3)15-10-16(11-15)32-13-14-9-20(17(24(4,5)34)12-19(14)31-32)30-22(33)18-7-6-8-21(29-18)25(26,27)28;1-23(2,31)15-9-17(10-15)29-13-14-8-21(18(24(3,4)32)11-20(14)28-29)27-22(30)19-7-5-6-16(12-25)26-19;1-23(2,3)14-9-15(10-14)29-12-13-8-19(20(31-4)11-18(13)28-29)27-22(30)17-7-5-6-16(26-17)21(24)25;1-21(2,33)13-9-14(10-13)31-11-12-8-16(19(30(3)4)28-18(12)29-31)27-20(32)15-6-5-7-17(26-15)22(23,24)25;1-21(2,3)14-10-16(11-14)29-12-13-9-15(7-8-17(13)28-29)26-20(30)18-5-4-6-19(27-18)22(23,24)25;1-20(2,31)12-7-13(8-12)29-10-11-6-17(14(22)9-16(11)28-29)27-19(30)15-4-3-5-18(26-15)21(23,24)25/h6-9,12-13,15-16,34H,10-11H2,1-5H3,(H,30,33);5-8,11,13,15,17,31-32H,9-10H2,1-4H3,(H,27,30);5-8,11-12,14-15,21H,9-10H2,1-4H3,(H,27,30);5-8,11,13-14,33H,9-10H2,1-4H3,(H,27,32);4-9,12,14,16H,10-11H2,1-3H3,(H,26,30);3-6,9-10,12-13,31H,7-8H2,1-2H3,(H,27,30) |
| InChIKey | NMRQNQOYGUUIFK-UHFFFAOYSA-N |
| XLogP | 29.21 |
| TPSA | 509.16 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2651.85 |
| LogP ≤ 5 | 29.21 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 33 |