C156H176F6N38O29 — CID 159121937
2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;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;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 159121937) has the molecular formula C156H176F6N38O29 and a molecular weight of 3161.35 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-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;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;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.
| Compound Name | 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;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;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide |
|---|---|
| PubChem CID | 159121937 |
| Molecular Formula | C156H176F6N38O29 |
| Molecular Weight | 3161.35 g/mol |
| Exact Mass | 3159.34 |
| IUPAC Name | 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;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;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide |
| 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.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/C19H17FN4O3.C18H21N5O3.C18H23N5O2.C18H22N4O4.C17H16F2N4O3.C17H20F2N4O3.C17H19FN4O4.C17H20N4O4.C15H18N4O3/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;18-16(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;1-4-17(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;1-10(2)17-13(20)9-19-15(21)7-5-12(18-19)11-4-6-14(22-3)16-8-11/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);1-4,8,12,16H,5-7,9H2,(H,21,24);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);4-8,10H,9H2,1-3H3,(H,17,20) |
| InChIKey | KFUMZVHMVJZXTA-UHFFFAOYSA-N |
| XLogP | 10.59 |
| TPSA | 799.93 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 229 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3161.35 |
| LogP ≤ 5 | 10.59 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 58 |