N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
C108H126F13N47O11S5 — CID 158818771
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide (PubChem CID 158818771) has the molecular formula C108H126F13N47O11S5 and a molecular weight of 2665.82 g/mol. Its IUPAC name is N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide |
|---|---|
| PubChem CID | 158818771 |
| Molecular Formula | C108H126F13N47O11S5 |
| Molecular Weight | 2665.82 g/mol |
| Exact Mass | 2663.91 |
| IUPAC Name | N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide |
| SMILES | CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1.CC1C(C(N)=O)NCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)N(C2CC2)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)NCCN1c1cc(-c2cnc3ccc(C(F)(F)F)nn23)ncn1.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CS(N)(=O)=O.CNS(=O)(=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1 |
| InChI | InChI=1S/C21H26F2N8O2S.C18H21F3N8O2S.C18H22F2N8O2S.C17H20F2N8O2S.C17H18F2N8O.C17H19F2N7O2S/c1-13-17(11-27-34(2,32)33)30(14-3-4-14)8-7-29(13)20-9-16(25-12-26-20)18-10-24-19-6-5-15(21(22)23)28-31(18)19;1-11-13(8-26-32(2,30)31)22-5-6-28(11)17-7-12(24-10-25-17)14-9-23-16-4-3-15(18(19,20)21)27-29(14)16;1-11(26-31(2,29)30)14-9-27(6-5-21-14)17-7-13(23-10-24-17)15-8-22-16-4-3-12(18(19)20)25-28(15)16;1-25-4-5-26(8-11(25)9-30(20,28)29)16-6-13(22-10-23-16)14-7-21-15-3-2-12(17(18)19)24-27(14)15;1-9-15(17(20)28)21-4-5-26(9)14-6-11(23-8-24-14)12-7-22-13-3-2-10(16(18)19)25-27(12)13;1-20-29(27,28)11-3-2-6-25(9-11)16-7-13(22-10-23-16)14-8-21-15-5-4-12(17(18)19)24-26(14)15/h5-6,9-10,12-14,17,21,27H,3-4,7-8,11H2,1-2H3;3-4,7,9-11,13,22,26H,5-6,8H2,1-2H3;3-4,7-8,10-11,14,18,21,26H,5-6,9H2,1-2H3;2-3,6-7,10-11,17H,4-5,8-9H2,1H3,(H2,20,28,29);2-3,6-9,15-16,21H,4-5H2,1H3,(H2,20,28);4-5,7-8,10-11,17,20H,2-3,6,9H2,1H3 |
| InChIKey | IVPIHTMWRJNUGP-UHFFFAOYSA-N |
| XLogP | 6.43 |
| TPSA | 685.76 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 184 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2665.82 |
| LogP ≤ 5 | 6.43 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 52 |
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Sources
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