Bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C₉₀H₉₂F₂₀N₃₄O₇S₃ — CID 159829288

About Bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)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]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 159829288) has the molecular formula C₉₀H₉₂F₂₀N₃₄O₇S₃ and a molecular weight of 2238.12 g/mol. Its IUPAC name is bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)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]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 159829288
• Molecular Formula: C₉₀H₉₂F₂₀N₃₄O₇S₃
• Molecular Weight: 2238.12 g/mol
• Exact Mass: 2236.67
• IUPAC Name: bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• SMILES: CC1C(CNS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1(F)F.CC1C(CNS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1(F)F.FC(F)c1ccc2ncc(-c3cc(N4CCCCC4C(F)(F)F)ncn3)n2n1.NC(=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.O=S(=O)(NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)C(F)(F)F
• InChI: InChI=1S/2C19H21F4N7O2S.C18H18F5N7O2S.C17H15F5N6.C17H17F2N7O/c2*1-11-12(6-27-33(2,31)32)8-29(9-19(11,22)23)17-5-14(25-10-26-17)15-7-24-16-4-3-13(18(20)21)28-30(15)16;19-17(20)12-3-4-15-24-8-14(30(15)28-12)13-6-16(26-10-25-13)29-5-1-2-11(9-29)7-27-33(31,32)18(21,22)23;18-16(19)10-4-5-14-23-8-12(28(14)26-10)11-7-15(25-9-24-11)27-6-2-1-3-13(27)17(20,21)22;18-16(19)11-3-4-14-21-7-13(26(14)24-11)12-6-15(23-9-22-12)25-5-1-2-10(8-25)17(20)27/h2*3-5,7,10-12,18,27H,6,8-9H2,1-2H3;3-4,6,8,10-11,17,27H,1-2,5,7,9H2;4-5,7-9,13,16H,1-3,6H2;3-4,6-7,9-10,16H,1-2,5,8H2,(H2,20,27)
• InChIKey: NNGGSJNYOVKANX-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 477.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.12
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

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]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)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]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 159829288) is bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)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]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)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]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is CC1C(CNS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1(F)F.CC1C(CNS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1(F)F.FC(F)c1ccc2ncc(-c3cc(N4CCCCC4C(F)(F)F)ncn3)n2n1.NC(=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.O=S(=O)(NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)C(F)(F)F.

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

The InChIKey is NNGGSJNYOVKANX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21F4N7O2S.C18H18F5N7O2S.C17H15F5N6.C17H17F2N7O/c2*1-11-12(6-27-33(2,31)32)8-29(9-19(11,22)23)17-5-14(25-10-26-17)15-7-24-16-4-3-13(18(20)21)28-30(15)16;19-17(20)12-3-4-15-24-8-14(30(15)28-12)13-6-16(26-10-25-13)29-5-1-2-11(9-29)7-27-33(31,32)18(21,22)23;18-16(19)10-4-5-14-23-8-12(28(14)26-10)11-7-15(25-9-24-11)27-6-2-1-3-13(27)17(20,21)22;18-16(19)11-3-4-14-21-7-13(26(14)24-11)12-6-15(23-9-22-12)25-5-1-2-10(8-25)17(20)27/h2*3-5,7,10-12,18,27H,6,8-9H2,1-2H3;3-4,6,8,10-11,17,27H,1-2,5,7,9H2;4-5,7-9,13,16H,1-3,6H2;3-4,6-7,9-10,16H,1-2,5,8H2,(H2,20,27).

What are the key properties of Bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)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]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2238.12 g/mol, XLogP of 13.41, 25 rotatable bonds, 4 hydrogen bond donors, and 37 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]-5,5-difluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide);1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 159829288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159829288 — identifiers, structure, computed properties (public domain)

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