N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C₁₀₆H₁₀₈F₁₅N₄₁O₈S — CID 158831677

About N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 158831677) has the molecular formula C₁₀₆H₁₀₈F₁₅N₄₁O₈S and a molecular weight of 2401.35 g/mol. Its IUPAC name is N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
• PubChem CID: 158831677
• Molecular Formula: C₁₀₆H₁₀₈F₁₅N₄₁O₈S
• Molecular Weight: 2401.35 g/mol
• Exact Mass: 2399.88
• IUPAC Name: N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
• SMILES: CC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C1CNS(C)(=O)=O.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CCO.N#CCC1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1.N#CCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.OC[C@@H]1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.OC[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1
• InChI: InChI=1S/C20H24F2N8O3S.C18H21F2N7O.C17H14F3N7O.2C17H17F3N6O.C17H15F2N7O/c1-12-16(10-26-34(3,32)33)29(13(2)31)7-6-28(12)19-8-15(24-11-25-19)17-9-23-18-5-4-14(20(21)22)27-30(17)18;1-25-5-6-26(10-12(25)4-7-28)17-8-14(22-11-23-17)15-9-21-16-3-2-13(18(19)20)24-27(15)16;18-17(19,20)14-1-2-15-22-8-13(27(15)25-14)12-7-16(24-10-23-12)26-5-6-28-11(9-26)3-4-21;2*18-17(19,20)14-3-4-15-21-7-13(26(15)24-14)12-6-16(23-10-22-12)25-5-1-2-11(8-25)9-27;18-17(19)12-1-2-15-21-8-14(26(15)24-12)13-7-16(23-10-22-13)25-5-6-27-11(9-25)3-4-20/h4-5,8-9,11-12,16,20,26H,6-7,10H2,1-3H3;2-3,8-9,11-12,18,28H,4-7,10H2,1H3;1-2,7-8,10-11H,3,5-6,9H2;2*3-4,6-7,10-11,27H,1-2,5,8-9H2;1-2,7-8,10-11,17H,3,5-6,9H2/t;;;2*11-;/m...10./s1
• InChIKey: IXCTXHJOJAJCNK-YCASPFHSSA-N
• XLogP: 12.12
• TPSA: 551.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 47
• Rotatable Bonds: 24
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2401.35
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?

The IUPAC name of N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 158831677) is N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

What is the SMILES notation for N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?

The canonical SMILES for N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is CC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C1CNS(C)(=O)=O.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CCO.N#CCC1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1.N#CCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.OC[C@@H]1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.OC[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.

What is the InChIKey of N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?

The InChIKey is IXCTXHJOJAJCNK-YCASPFHSSA-N. The full InChI is InChI=1S/C20H24F2N8O3S.C18H21F2N7O.C17H14F3N7O.2C17H17F3N6O.C17H15F2N7O/c1-12-16(10-26-34(3,32)33)29(13(2)31)7-6-28(12)19-8-15(24-11-25-19)17-9-23-18-5-4-14(20(21)22)27-30(17)18;1-25-5-6-26(10-12(25)4-7-28)17-8-14(22-11-23-17)15-9-21-16-3-2-13(18(19)20)24-27(15)16;18-17(19,20)14-1-2-15-22-8-13(27(15)25-14)12-7-16(24-10-23-12)26-5-6-28-11(9-26)3-4-21;2*18-17(19,20)14-3-4-15-21-7-13(26(15)24-14)12-6-16(23-10-22-12)25-5-1-2-11(8-25)9-27;18-17(19)12-1-2-15-21-8-14(26(15)24-12)13-7-16(23-10-22-13)25-5-6-27-11(9-25)3-4-20/h4-5,8-9,11-12,16,20,26H,6-7,10H2,1-3H3;2-3,8-9,11-12,18,28H,4-7,10H2,1H3;1-2,7-8,10-11H,3,5-6,9H2;2*3-4,6-7,10-11,27H,1-2,5,8-9H2;1-2,7-8,10-11,17H,3,5-6,9H2/t;;;2*11-;/m...10./s1.

What are the key properties of N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?

N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 2401.35 g/mol, XLogP of 12.12, 24 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-acetyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;2-[4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]acetonitrile;[(3R)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol;[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 158831677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158831677 — identifiers, structure, computed properties (public domain)

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