bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C96H108F17N35O10S5 — CID 159585241

About bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 159585241) has the molecular formula C96H108F17N35O10S5 and a molecular weight of 2395.46 g/mol. Its IUPAC name is bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 159585241
• Molecular Formula: C96H108F17N35O10S5
• Molecular Weight: 2395.46 g/mol
• Exact Mass: 2393.74
• IUPAC Name: bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• SMILES: CC1C(CNS(C)(=O)=O)C(F)(F)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)C(F)(F)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(F)(F)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CS(=O)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)NCC1CC(N2CC(F)C2)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
• InChI: InChI=1S/C21H25F3N8O2S.3C19H21F4N7O2S.C18H20F2N6O2S/c1-35(33,34)28-6-13-4-15(30-9-14(22)10-30)11-31(8-13)20-5-17(26-12-27-20)18-7-25-19-3-2-16(21(23)24)29-32(18)19;1-11-6-19(22,23)12(7-27-33(2,31)32)9-29(11)17-5-14(25-10-26-17)15-8-24-16-4-3-13(18(20)21)28-30(15)16;2*1-11-12(8-27-33(2,31)32)19(22,23)5-6-29(11)17-7-14(25-10-26-17)15-9-24-16-4-3-13(18(20)21)28-30(15)16;1-29(27,28)10-12-3-2-6-25(9-12)17-7-14(22-11-23-17)15-8-21-16-5-4-13(18(19)20)24-26(15)16/h2-3,5,7,12-15,21,28H,4,6,8-11H2,1H3;3-5,8,10-12,18,27H,6-7,9H2,1-2H3;2*3-4,7,9-12,18,27H,5-6,8H2,1-2H3;4-5,7-8,11-12,18H,2-3,6,9-10H2,1H3
• InChIKey: MJNMAXTXHMRVSB-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 518.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.46
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The IUPAC name of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 159585241) is bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The canonical SMILES for bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is CC1C(CNS(C)(=O)=O)C(F)(F)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)C(F)(F)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(F)(F)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CS(=O)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)NCC1CC(N2CC(F)C2)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.

What is the InChIKey of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The InChIKey is MJNMAXTXHMRVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N8O2S.3C19H21F4N7O2S.C18H20F2N6O2S/c1-35(33,34)28-6-13-4-15(30-9-14(22)10-30)11-31(8-13)20-5-17(26-12-27-20)18-7-25-19-3-2-16(21(23)24)29-32(18)19;1-11-6-19(22,23)12(7-27-33(2,31)32)9-29(11)17-5-14(25-10-26-17)15-8-24-16-4-3-13(18(20)21)28-30(15)16;2*1-11-12(8-27-33(2,31)32)19(22,23)5-6-29(11)17-7-14(25-10-26-17)15-9-24-16-4-3-13(18(20)21)28-30(15)16;1-29(27,28)10-12-3-2-6-25(9-12)17-7-14(22-11-23-17)15-8-21-16-5-4-13(18(19)20)24-26(15)16/h2-3,5,7,12-15,21,28H,4,6,8-11H2,1H3;3-5,8,10-12,18,27H,6-7,9H2,1-2H3;2*3-4,7,9-12,18,27H,5-6,8H2,1-2H3;4-5,7-8,11-12,18H,2-3,6,9-10H2,1H3.

What are the key properties of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2395.46 g/mol, XLogP of 11.48, 30 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(3-fluoroazetidin-1-yl)piperidin-3-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 159585241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).