N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)

C104H112N26O3S4 — CID 158020782

About N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)

N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol) (PubChem CID 158020782) has the molecular formula C104H112N26O3S4 and a molecular weight of 1902.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol).

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)
• PubChem CID: 158020782
• Molecular Formula: C104H112N26O3S4
• Molecular Weight: 1902.49 g/mol
• Exact Mass: 1900.83
• IUPAC Name: N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)
• SMILES: C.C.Cc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1C.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(C)CC5)nn34)sc12.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)[nH]c12.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12
• InChI: InChI=1S/C21H23N5S.C21H17N5S.C20H22N6O.2C20H21N5OS.2CH4/c1-13-3-5-16(6-4-13)24-19-7-8-20-23-12-17(26(20)25-19)18-9-15-11-22-10-14(2)21(15)27-18;1-13-3-4-16(9-14(13)2)24-20-5-6-21-23-12-17(26(21)25-20)19-10-15-11-22-8-7-18(15)27-19;1-12-9-21-10-13-8-16(24-20(12)13)17-11-22-19-7-6-18(25-26(17)19)23-14-2-4-15(27)5-3-14;2*1-12-9-21-10-13-8-17(27-20(12)13)16-11-22-19-7-6-18(24-25(16)19)23-14-2-4-15(26)5-3-14;;/h7-13,16H,3-6H2,1-2H3,(H,24,25);3-12H,1-2H3,(H,24,25);6-11,14-15,24,27H,2-5H2,1H3,(H,23,25);2*6-11,14-15,26H,2-5H2,1H3,(H,23,24);2*1H4
• InChIKey: FGAOUYJNBSDIKV-UHFFFAOYSA-N
• XLogP: 23.30
• TPSA: 352.03 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.49
LogP ≤ 5	23.30
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)?

The IUPAC name of N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol) (CID 158020782) is N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol).

What is the SMILES notation for N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)?

The canonical SMILES for N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol) is C.C.Cc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1C.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(C)CC5)nn34)sc12.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)[nH]c12.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12.

What is the InChIKey of N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)?

The InChIKey is FGAOUYJNBSDIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S.C21H17N5S.C20H22N6O.2C20H21N5OS.2CH4/c1-13-3-5-16(6-4-13)24-19-7-8-20-23-12-17(26(20)25-19)18-9-15-11-22-10-14(2)21(15)27-18;1-13-3-4-16(9-14(13)2)24-20-5-6-21-23-12-17(26(21)25-20)19-10-15-11-22-8-7-18(15)27-19;1-12-9-21-10-13-8-16(24-20(12)13)17-11-22-19-7-6-18(25-26(17)19)23-14-2-4-15(27)5-3-14;2*1-12-9-21-10-13-8-17(27-20(12)13)16-11-22-19-7-6-18(24-25(16)19)23-14-2-4-15(26)5-3-14;;/h7-13,16H,3-6H2,1-2H3,(H,24,25);3-12H,1-2H3,(H,24,25);6-11,14-15,24,27H,2-5H2,1H3,(H,23,25);2*6-11,14-15,26H,2-5H2,1H3,(H,23,24);2*1H4.

What are the key properties of N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)?

N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol) has a molecular weight of 1902.49 g/mol, XLogP of 23.30, 15 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol) is sourced from PubChem (CID 158020782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).