C156H179F11N46O22 — CID 158240691
2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(methylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide (PubChem CID 158240691) has the molecular formula C156H179F11N46O22 and a molecular weight of 3259.43 g/mol. Its IUPAC name is 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(methylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide.
| Compound Name | 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(methylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide |
|---|---|
| PubChem CID | 158240691 |
| Molecular Formula | C156H179F11N46O22 |
| Molecular Weight | 3259.43 g/mol |
| Exact Mass | 3257.41 |
| IUPAC Name | 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(methylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide |
| SMILES | CCNC(=O)Cn1nc(-c2ccc(N3CC(OC(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CCCC3C(F)(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC(C)(C)C)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(OCCOC(F)(F)F)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC1CCC1.O=C(Cn1nc(-c2ccc(NC3CCC3)nc2)ccc1=O)NC1CCC1.O=C(Cn1nc(-c2cnc(NC34CC(C3)C4)nc2)ccc1=O)NC1CCC1.O=C(Cn1nc(-c2cnc(OCC(F)(F)F)nc2)ccc1=O)NC12CC(C1)C2 |
| InChI | InChI=1S/C20H23N5O2.C19H22N6O2.C19H23N5O2.C18H20F3N5O2.C17H16F3N5O3.C17H19F2N5O3.C17H23N5O2.C15H16F3N5O4.C14H17N5O2/c26-18(22-15-2-1-3-15)12-25-19(27)7-5-16(24-25)14-4-6-17(21-11-14)23-20-8-13(9-20)10-20;26-16(22-14-2-1-3-14)11-25-17(27)5-4-15(24-25)13-9-20-18(21-10-13)23-19-6-12(7-19)8-19;25-18(22-15-5-2-6-15)12-24-19(26)10-8-16(23-24)13-7-9-17(20-11-13)21-14-3-1-4-14;1-2-22-16(27)11-26-17(28)8-6-13(24-26)12-5-7-15(23-10-12)25-9-3-4-14(25)18(19,20)21;18-17(19,20)9-28-15-21-6-11(7-22-15)12-1-2-14(27)25(24-12)8-13(26)23-16-3-10(4-16)5-16;1-2-20-15(25)10-24-16(26)6-4-13(22-24)11-3-5-14(21-7-11)23-8-12(9-23)27-17(18)19;1-5-18-15(23)11-22-16(24)9-7-13(21-22)12-6-8-14(19-10-12)20-17(2,3)4;1-2-19-12(24)9-23-13(25)4-3-11(22-23)10-7-20-14(21-8-10)26-5-6-27-15(16,17)18;1-3-16-13(20)9-19-14(21)7-5-11(18-19)10-4-6-12(15-2)17-8-10/h4-7,11,13,15H,1-3,8-10,12H2,(H,21,23)(H,22,26);4-5,9-10,12,14H,1-3,6-8,11H2,(H,22,26)(H,20,21,23);7-11,14-15H,1-6,12H2,(H,20,21)(H,22,25);5-8,10,14H,2-4,9,11H2,1H3,(H,22,27);1-2,6-7,10H,3-5,8-9H2,(H,23,26);3-7,12,17H,2,8-10H2,1H3,(H,20,25);6-10H,5,11H2,1-4H3,(H,18,23)(H,19,20);3-4,7-8H,2,5-6,9H2,1H3,(H,19,24);4-8H,3,9H2,1-2H3,(H,15,17)(H,16,20) |
| InChIKey | GFMQXNIJGRUZRO-UHFFFAOYSA-N |
| XLogP | 12.25 |
| TPSA | 834.14 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 235 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3259.43 |
| LogP ≤ 5 | 12.25 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 59 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|