C134H150F10N28O13 — CID 165013662
N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-fluoropyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-cyanopyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)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;6-fluoro-N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 165013662) has the molecular formula C134H150F10N28O13 and a molecular weight of 2550.84 g/mol. Its IUPAC name is N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-fluoropyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-cyanopyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)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;6-fluoro-N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-fluoropyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-cyanopyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)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;6-fluoro-N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 165013662 |
| Molecular Formula | C134H150F10N28O13 |
| Molecular Weight | 2550.84 g/mol |
| Exact Mass | 2549.18 |
| IUPAC Name | N-[2-(3-tert-butylcyclobutyl)-6-(dimethylamino)indazol-5-yl]-6-fluoropyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-cyanopyridine-2-carboxamide;N-[2-(3-tert-butylcyclobutyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)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;6-fluoro-N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[2-(3-hydroxy-3-methylcyclobutyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CC(C)(O)c1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(C#N)n1.CN(C)c1cc2nn(C3CC(C(C)(C)C)C3)cc2cc1NC(=O)c1cccc(F)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.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(F)n1.COc1cc2nn(C3CC(C)(O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1 |
| InChI | InChI=1S/C25H29N5O2.C23H26F2N4O2.C23H28FN5O.C22H25F3N6O2.C21H23FN4O3.C20H19F3N4O3/c1-24(2,3)16-10-18(11-16)30-14-15-9-22(19(25(4,5)32)12-21(15)29-30)28-23(31)20-8-6-7-17(13-26)27-20;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;1-23(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(2,33)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(2,28)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;1-19(29)8-12(9-19)27-10-11-6-15(16(30-2)7-14(11)26-27)25-18(28)13-4-3-5-17(24-13)20(21,22)23/h6-9,12,14,16,18,32H,10-11H2,1-5H3,(H,28,31);5-8,11-12,14-15,21H,9-10H2,1-4H3,(H,27,30);6-9,12-13,15-16H,10-11H2,1-5H3,(H,26,30);5-8,11,13-14,33H,9-10H2,1-4H3,(H,27,32);4-7,10-11,13-14,28H,8-9H2,1-3H3,(H,24,27);3-7,10,12,29H,8-9H2,1-2H3,(H,25,28) |
| InChIKey | KBQYCBUDIDOOGQ-UHFFFAOYSA-N |
| XLogP | 26.53 |
| TPSA | 510.63 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2550.84 |
| LogP ≤ 5 | 26.53 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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