N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
C103H108F10N38O11S3 — CID 158590687
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 158590687) has the molecular formula C103H108F10N38O11S3 and a molecular weight of 2340.43 g/mol. Its IUPAC name is N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine.
Molecular Properties
| Compound Name | N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine |
|---|---|
| PubChem CID | 158590687 |
| Molecular Formula | C103H108F10N38O11S3 |
| Molecular Weight | 2340.43 g/mol |
| Exact Mass | 2338.81 |
| IUPAC Name | N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine |
| SMILES | CC(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)CCN1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C5CC5)nn34)ncn2)CCO1.FC(F)c1ccc2ncc(-c3cc(N4CCOCC4)ncn3)n2n1.O=C(NCCO)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1 |
| InChI | InChI=1S/C19H23N7O3S.C18H19F2N7O2.C18H20F2N6O2S.C17H16F2N6O.C16H16F2N6O2S.C15H14F2N6O/c1-30(27,28)23-9-14-11-25(6-7-29-14)19-8-16(21-12-22-19)17-10-20-18-5-4-15(13-2-3-13)24-26(17)18;19-17(20)12-1-2-16-22-8-15(27(16)25-12)14-7-13(23-10-24-14)11-3-5-26(9-11)18(29)21-4-6-28;1-29(27,28)7-6-25-5-4-12(10-25)14-8-15(23-11-22-14)16-9-21-17-3-2-13(18(19)20)24-26(16)17;1-10(26)24-5-4-11(8-24)13-6-14(22-9-21-13)15-7-20-16-3-2-12(17(18)19)23-25(15)16;1-27(25,26)23-5-4-10(8-23)12-6-13(21-9-20-12)14-7-19-15-3-2-11(16(17)18)22-24(14)15;16-15(17)10-1-2-13-18-8-12(23(13)21-10)11-7-14(20-9-19-11)22-3-5-24-6-4-22/h4-5,8,10,12-14,23H,2-3,6-7,9,11H2,1H3;1-2,7-8,10-11,17,28H,3-6,9H2,(H,21,29);2-3,8-9,11-12,18H,4-7,10H2,1H3;2-3,6-7,9,11,17H,4-5,8H2,1H3;2-3,6-7,9-10,16H,4-5,8H2,1H3;1-2,7-9,15H,3-6H2/t14-;;;;;/m1...../s1 |
| InChIKey | HUKFUKKHNXDLRF-NLQDPJAYSA-N |
| XLogP | 10.68 |
| TPSA | 554.57 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 165 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2340.43 |
| LogP ≤ 5 | 10.68 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 44 |
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Sources
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