C85H92N24O8 — CID 158507441
[2-[(2-methylpyrazol-3-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[2-[(3-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(phenoxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-3-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 158507441) has the molecular formula C85H92N24O8 and a molecular weight of 1577.83 g/mol. Its IUPAC name is [2-[(2-methylpyrazol-3-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[2-[(3-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(phenoxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-3-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
| Compound Name | [2-[(2-methylpyrazol-3-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[2-[(3-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(phenoxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-3-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone |
|---|---|
| PubChem CID | 158507441 |
| Molecular Formula | C85H92N24O8 |
| Molecular Weight | 1577.83 g/mol |
| Exact Mass | 1576.75 |
| IUPAC Name | [2-[(2-methylpyrazol-3-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[2-[(3-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(phenoxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-3-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone |
| SMILES | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccccc2)C3)n1.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnc2)C3)n1.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C)C3)n1 |
| InChI | InChI=1S/C22H24N6O2.C22H23N5O2.C21H22N6O2.C20H23N7O2/c1-14-4-3-9-23-21(14)30-13-16-12-17-6-8-18(16)27(17)22(29)20-19(7-5-15(2)26-20)28-24-10-11-25-28;1-15-7-9-20(27-23-11-12-24-27)21(25-15)22(28)26-17-8-10-19(26)16(13-17)14-29-18-5-3-2-4-6-18;1-14-4-6-19(27-23-9-10-24-27)20(25-14)21(28)26-16-5-7-18(26)15(11-16)13-29-17-3-2-8-22-12-17;1-13-3-5-17(27-22-9-10-23-27)19(24-13)20(28)26-15-4-6-16(26)14(11-15)12-29-18-7-8-21-25(18)2/h3-5,7,9-11,16-18H,6,8,12-13H2,1-2H3;2-7,9,11-12,16-17,19H,8,10,13-14H2,1H3;2-4,6,8-10,12,15-16,18H,5,7,11,13H2,1H3;3,5,7-10,14-16H,4,6,11-12H2,1-2H3 |
| InChIKey | HKPZVQUSEKQCGD-UHFFFAOYSA-N |
| XLogP | 10.00 |
| TPSA | 336.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 117 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1577.83 |
| LogP ≤ 5 | 10.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |