C124H142F4N30O23 — CID 158107980
2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-[(3-methyloxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 158107980) has the molecular formula C124H142F4N30O23 and a molecular weight of 2496.68 g/mol. Its IUPAC name is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-[(3-methyloxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.
| Compound Name | 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-[(3-methyloxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide |
|---|---|
| PubChem CID | 158107980 |
| Molecular Formula | C124H142F4N30O23 |
| Molecular Weight | 2496.68 g/mol |
| Exact Mass | 2495.08 |
| IUPAC Name | 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-[(3-methyloxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide |
| SMILES | CCC(C)(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC(C)(C)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CCC34COC4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCC3(C)COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCC3(F)COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(Oc3ccc(F)cc3)nc2)ccc1=O |
| InChI | InChI=1S/C19H17FN4O3.C18H21N5O3.C18H23N5O2.C18H22N4O4.C17H20F2N4O3.C17H19FN4O4.C17H20N4O4/c1-2-21-17(25)12-24-19(26)10-8-16(23-24)13-3-9-18(22-11-13)27-15-6-4-14(20)5-7-15;1-2-19-16(24)10-23-17(25)6-4-14(21-23)13-3-5-15(20-9-13)22-8-7-18(22)11-26-12-18;1-4-19-16(24)10-23-17(25)8-6-14(21-23)13-5-7-15(20-9-13)22-11-18(2,3)12-22;1-3-19-15(23)9-22-17(24)7-5-14(21-22)13-4-6-16(20-8-13)26-12-18(2)10-25-11-18;1-4-17(2,3)21-13(24)10-23-15(25)8-6-12(22-23)11-5-7-14(20-9-11)26-16(18)19;1-2-19-14(23)8-22-16(24)6-4-13(21-22)12-3-5-15(20-7-12)26-11-17(18)9-25-10-17;1-2-18-15(22)8-21-17(23)6-4-14(20-21)13-3-5-16(19-7-13)25-11-12-9-24-10-12/h3-11H,2,12H2,1H3,(H,21,25);3-6,9H,2,7-8,10-12H2,1H3,(H,19,24);5-9H,4,10-12H2,1-3H3,(H,19,24);4-8H,3,9-12H2,1-2H3,(H,19,23);5-9,16H,4,10H2,1-3H3,(H,21,24);3-7H,2,8-11H2,1H3,(H,19,23);3-7,12H,2,8-11H2,1H3,(H,18,22) |
| InChIKey | FQBMWAHQNCOYEF-UHFFFAOYSA-N |
| XLogP | 8.17 |
| TPSA | 627.71 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2496.68 |
| LogP ≤ 5 | 8.17 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 46 |