C81H88F3N17O11 — CID 157252809
3-amino-N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(2,2-dimethyloxan-4-yl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide (PubChem CID 157252809) has the molecular formula C81H88F3N17O11 and a molecular weight of 1532.70 g/mol. Its IUPAC name is 3-amino-N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(2,2-dimethyloxan-4-yl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide.
| Compound Name | 3-amino-N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(2,2-dimethyloxan-4-yl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157252809 |
| Molecular Formula | C81H88F3N17O11 |
| Molecular Weight | 1532.70 g/mol |
| Exact Mass | 1531.68 |
| IUPAC Name | 3-amino-N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(2,2-dimethyloxan-4-yl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide |
| SMILES | Cn1nc(OC2CCCCC2F)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OC2CCCCC2F)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OC2CCCCC2F)c2ccc(NC(=O)c3ncccc3O)cc21.Cn1nc(OC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3O)cc21 |
| InChI | InChI=1S/C21H24N4O4.C20H22FN5O2.C20H21FN4O3.C20H21FN4O2/c1-21(2)12-14(8-10-28-21)29-20-15-7-6-13(11-16(15)25(3)24-20)23-19(27)18-17(26)5-4-9-22-18;1-26-16-11-12(24-19(27)18-15(22)6-4-10-23-18)8-9-13(16)20(25-26)28-17-7-3-2-5-14(17)21;1-25-15-11-12(23-19(27)18-16(26)6-4-10-22-18)8-9-13(15)20(24-25)28-17-7-3-2-5-14(17)21;1-25-17-12-13(23-19(26)16-7-4-5-11-22-16)9-10-14(17)20(24-25)27-18-8-3-2-6-15(18)21/h4-7,9,11,14,26H,8,10,12H2,1-3H3,(H,23,27);4,6,8-11,14,17H,2-3,5,7,22H2,1H3,(H,24,27);4,6,8-11,14,17,26H,2-3,5,7H2,1H3,(H,23,27);4-5,7,9-12,15,18H,2-3,6,8H2,1H3,(H,23,26) |
| InChIKey | AWNMMKBJVDVTDW-UHFFFAOYSA-N |
| XLogP | 14.19 |
| TPSA | 351.87 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 112 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1532.70 |
| LogP ≤ 5 | 14.19 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 24 |