(8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C89H92F10N34O9S2 — CID 157409481

About (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

(8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 157409481) has the molecular formula C89H92F10N34O9S2 and a molecular weight of 2036.06 g/mol. Its IUPAC name is (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 157409481
• Molecular Formula: C89H92F10N34O9S2
• Molecular Weight: 2036.06 g/mol
• Exact Mass: 2034.71
• IUPAC Name: (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• SMILES: CS(=O)(=O)CCN1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.Cc1ncc(-c2cnc3ccc(C(F)F)nn23)cc1N1CCCC(CNS(C)(=O)=O)C1.NC(=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.O=C1NCC2CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)CCN12.O=C1OC[C@@H]2CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)CCN12
• InChI: InChI=1S/C20H24F2N6O2S.C19H22F2N6O2S.C17H16F2N8O.C17H15F2N7O2.C16H15F2N7O2/c1-13-17(27-7-3-4-14(12-27)9-25-31(2,29)30)8-15(10-23-13)18-11-24-19-6-5-16(20(21)22)26-28(18)19;1-30(28,29)8-7-26-6-2-3-13(11-26)15-9-16(24-12-23-15)17-10-22-18-5-4-14(19(20)21)25-27(17)18;18-16(19)11-1-2-14-20-7-13(27(14)24-11)12-5-15(23-9-22-12)25-3-4-26-10(8-25)6-21-17(26)28;18-16(19)11-1-2-14-20-6-13(26(14)23-11)12-5-15(22-9-21-12)24-3-4-25-10(7-24)8-28-17(25)27;17-15(18)9-1-2-13-20-6-11(25(13)23-9)10-5-14(22-8-21-10)24-3-4-27-12(7-24)16(19)26/h5-6,8,10-11,14,20,25H,3-4,7,9,12H2,1-2H3;4-5,9-10,12-13,19H,2-3,6-8,11H2,1H3;1-2,5,7,9-10,16H,3-4,6,8H2,(H,21,28);1-2,5-6,9-10,16H,3-4,7-8H2;1-2,5-6,8,12,15H,3-4,7H2,(H2,19,26)/t;;;10-;/m...0./s1
• InChIKey: BOCLFHXYRSNGSN-CPKWHSIVSA-N
• XLogP: 9.07
• TPSA: 477.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2036.06
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The IUPAC name of (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 157409481) is (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The canonical SMILES for (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is CS(=O)(=O)CCN1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.Cc1ncc(-c2cnc3ccc(C(F)F)nn23)cc1N1CCCC(CNS(C)(=O)=O)C1.NC(=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.O=C1NCC2CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)CCN12.O=C1OC[C@@H]2CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)CCN12.

What is the InChIKey of (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The InChIKey is BOCLFHXYRSNGSN-CPKWHSIVSA-N. The full InChI is InChI=1S/C20H24F2N6O2S.C19H22F2N6O2S.C17H16F2N8O.C17H15F2N7O2.C16H15F2N7O2/c1-13-17(27-7-3-4-14(12-27)9-25-31(2,29)30)8-15(10-23-13)18-11-24-19-6-5-16(20(21)22)26-28(18)19;1-30(28,29)8-7-26-6-2-3-13(11-26)15-9-16(24-12-23-15)17-10-22-18-5-4-14(19(20)21)25-27(17)18;18-16(19)11-1-2-14-20-7-13(27(14)24-11)12-5-15(23-9-22-12)25-3-4-26-10(8-25)6-21-17(26)28;18-16(19)11-1-2-14-20-6-13(26(14)23-11)12-5-15(22-9-21-12)24-3-4-25-10(7-24)8-28-17(25)27;17-15(18)9-1-2-13-20-6-11(25(13)23-9)10-5-14(22-8-21-10)24-3-4-27-12(7-24)16(19)26/h5-6,8,10-11,14,20,25H,3-4,7,9,12H2,1-2H3;4-5,9-10,12-13,19H,2-3,6-8,11H2,1H3;1-2,5,7,9-10,16H,3-4,6,8H2,(H,21,28);1-2,5-6,9-10,16H,3-4,7-8H2;1-2,5-6,8,12,15H,3-4,7H2,(H2,19,26)/t;;;10-;/m...0./s1.

What are the key properties of (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

(8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2036.06 g/mol, XLogP of 9.07, 22 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (8aS)-7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;N-[[1-[5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;7-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)piperidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157409481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).