3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)

C138H118F2N24O3S6 — CID 157200976

About 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)

3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine) (PubChem CID 157200976) has the molecular formula C138H118F2N24O3S6 and a molecular weight of 2391.02 g/mol. Its IUPAC name is 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine).

Molecular Properties

• Compound Name: 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)
• PubChem CID: 157200976
• Molecular Formula: C138H118F2N24O3S6
• Molecular Weight: 2391.02 g/mol
• Exact Mass: 2388.81
• IUPAC Name: 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)
• SMILES: COc1cccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12.COc1cccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(F)F)c5s4)n3n2)cc1C
• InChI: InChI=1S/C23H18F2N4OS.2C23H20N4OS.3C23H20N4S/c1-13-6-7-16(10-14(13)2)27-20-8-9-21-26-12-17(29(21)28-20)19-11-15-4-3-5-18(22(15)31-19)30-23(24)25;2*1-14-7-8-17(11-15(14)2)25-21-9-10-22-24-13-18(27(22)26-21)20-12-16-5-4-6-19(28-3)23(16)29-20;3*1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20/h3-12,23H,1-2H3,(H,27,28);2*4-13H,1-3H3,(H,25,26);3*4-13H,1-3H3,(H,25,26)
• InChIKey: AQUDWAGBUWHPDX-UHFFFAOYSA-N
• XLogP: 37.37
• TPSA: 281.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.02
LogP ≤ 5	37.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)?

The IUPAC name of 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine) (CID 157200976) is 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine).

What is the SMILES notation for 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)?

The canonical SMILES for 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine) is COc1cccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12.COc1cccc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(F)F)c5s4)n3n2)cc1C.

What is the InChIKey of 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)?

The InChIKey is AQUDWAGBUWHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4OS.2C23H20N4OS.3C23H20N4S/c1-13-6-7-16(10-14(13)2)27-20-8-9-21-26-12-17(29(21)28-20)19-11-15-4-3-5-18(22(15)31-19)30-23(24)25;2*1-14-7-8-17(11-15(14)2)25-21-9-10-22-24-13-18(27(22)26-21)20-12-16-5-4-6-19(28-3)23(16)29-20;3*1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20/h3-12,23H,1-2H3,(H,27,28);2*4-13H,1-3H3,(H,25,26);3*4-13H,1-3H3,(H,25,26).

What are the key properties of 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine)?

3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine) has a molecular weight of 2391.02 g/mol, XLogP of 37.37, 22 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(difluoromethoxy)-1-benzothiophen-2-yl]-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(N-(3,4-dimethylphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine);tris(N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine) is sourced from PubChem (CID 157200976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).