C94H98F10N24O17 — CID 159028192
2-[3-(6-cyclopropyl-3-pyridinyl)-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 159028192) has the molecular formula C94H98F10N24O17 and a molecular weight of 2025.95 g/mol. Its IUPAC name is 2-[3-(6-cyclopropyl-3-pyridinyl)-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.
| Compound Name | 2-[3-(6-cyclopropyl-3-pyridinyl)-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide |
|---|---|
| PubChem CID | 159028192 |
| Molecular Formula | C94H98F10N24O17 |
| Molecular Weight | 2025.95 g/mol |
| Exact Mass | 2024.74 |
| IUPAC Name | 2-[3-(6-cyclopropyl-3-pyridinyl)-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide |
| SMILES | CC1(NC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)CCC1.CCNC(=O)Cn1nc(-c2ccc(C3CC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OC(F)(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCC(F)(F)F)nc2)ccc1=O.COc1ccc(-c2ccc(=O)n(CC(=O)NC(C)C)n2)cn1.O=C(Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O)NC1CC12CC2 |
| InChI | InChI=1S/C17H16F2N4O3.C17H18F2N4O3.C16H18N4O2.C15H15F3N4O3.C15H18N4O3.C14H13F3N4O3/c18-16(19)26-14-3-1-10(8-20-14)11-2-4-15(25)23(22-11)9-13(24)21-12-7-17(12)5-6-17;1-17(7-2-8-17)21-13(24)10-23-15(25)6-4-12(22-23)11-3-5-14(20-9-11)26-16(18)19;1-2-17-15(21)10-20-16(22)8-7-14(19-20)12-5-6-13(18-9-12)11-3-4-11;1-2-19-12(23)8-22-14(24)6-4-11(21-22)10-3-5-13(20-7-10)25-9-15(16,17)18;1-10(2)17-13(20)9-19-15(21)7-5-12(18-19)11-4-6-14(22-3)16-8-11;1-2-18-11(22)8-21-13(23)6-4-10(20-21)9-3-5-12(19-7-9)24-14(15,16)17/h1-4,8,12,16H,5-7,9H2,(H,21,24);3-6,9,16H,2,7-8,10H2,1H3,(H,21,24);5-9,11H,2-4,10H2,1H3,(H,17,21);3-7H,2,8-9H2,1H3,(H,19,23);4-8,10H,9H2,1-3H3,(H,17,20);3-7H,2,8H2,1H3,(H,18,22) |
| InChIKey | JUNSDGKBQHKBTK-UHFFFAOYSA-N |
| XLogP | 8.42 |
| TPSA | 507.43 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2025.95 |
| LogP ≤ 5 | 8.42 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 35 |