C122H132ClF4N25O14 — CID 157448647
3-amino-N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;6-chloro-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3,5-difluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-4-fluoropyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide (PubChem CID 157448647) has the molecular formula C122H132ClF4N25O14 and a molecular weight of 2284.00 g/mol. Its IUPAC name is 3-amino-N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;6-chloro-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3,5-difluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-4-fluoropyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide.
| Compound Name | 3-amino-N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;6-chloro-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3,5-difluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-4-fluoropyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157448647 |
| Molecular Formula | C122H132ClF4N25O14 |
| Molecular Weight | 2284.00 g/mol |
| Exact Mass | 2282.00 |
| IUPAC Name | 3-amino-N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;6-chloro-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3,5-difluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-4-fluoropyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide |
| SMILES | Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3cc(F)ccn3)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3cccc(Cl)n3)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ncc(F)cc3F)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ncccc3F)cc21.Cn1nc(OCC2COC(C)(C)C2)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OCC2COC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc21 |
| InChI | InChI=1S/C21H25N5O3.C21H24N4O3.C20H21ClN4O2.C20H20F2N4O2.2C20H21FN4O2/c1-21(2)10-13(12-29-21)11-28-20-15-7-6-14(9-17(15)26(3)25-20)24-19(27)18-16(22)5-4-8-23-18;1-21(2)11-14(13-28-21)12-27-20-16-8-7-15(10-18(16)25(3)24-20)23-19(26)17-6-4-5-9-22-17;1-25-17-11-14(22-19(26)16-7-4-8-18(21)23-16)9-10-15(17)20(24-25)27-12-13-5-2-3-6-13;1-26-17-9-14(24-19(27)18-16(22)8-13(21)10-23-18)6-7-15(17)20(25-26)28-11-12-4-2-3-5-12;1-25-17-11-14(23-19(26)18-16(21)7-4-10-22-18)8-9-15(17)20(24-25)27-12-13-5-2-3-6-13;1-25-18-11-15(23-19(26)17-10-14(21)8-9-22-17)6-7-16(18)20(24-25)27-12-13-4-2-3-5-13/h4-9,13H,10-12,22H2,1-3H3,(H,24,27);4-10,14H,11-13H2,1-3H3,(H,23,26);4,7-11,13H,2-3,5-6,12H2,1H3,(H,22,26);6-10,12H,2-5,11H2,1H3,(H,24,27);4,7-11,13H,2-3,5-6,12H2,1H3,(H,23,26);6-11,13H,2-5,12H2,1H3,(H,23,26) |
| InChIKey | BSNMSCJWVCFDFS-UHFFFAOYSA-N |
| XLogP | 22.78 |
| TPSA | 458.72 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2284.00 |
| LogP ≤ 5 | 22.78 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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