4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C112H121N21O3S5 — CID 157437840

About 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 157437840) has the molecular formula C112H121N21O3S5 and a molecular weight of 1969.68 g/mol. Its IUPAC name is 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• PubChem CID: 157437840
• Molecular Formula: C112H121N21O3S5
• Molecular Weight: 1969.68 g/mol
• Exact Mass: 1967.86
• IUPAC Name: 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
• SMILES: C.Cc1cc2cc(-c3cnc4ccc(N(C)C5CCC(C)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(N(C)C5CCC(O)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc2cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1C.Cc1cccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12
• InChI: InChI=1S/C24H28N4S.C23H26N4OS.C22H24N4OS.C21H17N5S.C21H22N4OS.CH4/c1-15-5-7-19(8-6-15)27(4)24-10-9-23-25-14-20(28(23)26-24)22-13-18-11-16(2)17(3)12-21(18)29-22;1-14-10-16-12-21(29-20(16)11-15(14)2)19-13-24-22-8-9-23(25-27(19)22)26(3)17-4-6-18(28)7-5-17;1-13-9-15-11-20(28-19(15)10-14(13)2)18-12-23-22-8-7-21(25-26(18)22)24-16-3-5-17(27)6-4-16;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;1-13-3-2-4-14-11-18(27-21(13)14)17-12-22-20-10-9-19(24-25(17)20)23-15-5-7-16(26)8-6-15;/h9-15,19H,5-8H2,1-4H3;8-13,17-18,28H,4-7H2,1-3H3;7-12,16-17,27H,3-6H2,1-2H3,(H,24,25);3-12H,1-2H3,(H,24,25);2-4,9-12,15-16,26H,5-8H2,1H3,(H,23,24);1H4
• InChIKey: BRHXNLXPDUXYSY-UHFFFAOYSA-N
• XLogP: 26.79
• TPSA: 267.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1969.68
LogP ≤ 5	26.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The IUPAC name of 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 157437840) is 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is C.Cc1cc2cc(-c3cnc4ccc(N(C)C5CCC(C)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(N(C)C5CCC(O)CC5)nn34)sc2cc1C.Cc1cc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc2cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1C.Cc1cccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12.

What is the InChIKey of 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

The InChIKey is BRHXNLXPDUXYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4S.C23H26N4OS.C22H24N4OS.C21H17N5S.C21H22N4OS.CH4/c1-15-5-7-19(8-6-15)27(4)24-10-9-23-25-14-20(28(23)26-24)22-13-18-11-16(2)17(3)12-21(18)29-22;1-14-10-16-12-21(29-20(16)11-15(14)2)19-13-24-22-8-9-23(25-27(19)22)26(3)17-4-6-18(28)7-5-17;1-13-9-15-11-20(28-19(15)10-14(13)2)18-12-23-22-8-7-21(25-26(18)22)24-16-3-5-17(27)6-4-16;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;1-13-3-2-4-14-11-18(27-21(13)14)17-12-22-20-10-9-19(24-25(17)20)23-15-5-7-16(26)8-6-15;/h9-15,19H,5-8H2,1-4H3;8-13,17-18,28H,4-7H2,1-3H3;7-12,16-17,27H,3-6H2,1-2H3,(H,24,25);3-12H,1-2H3,(H,24,25);2-4,9-12,15-16,26H,5-8H2,1H3,(H,23,24);1H4.

What are the key properties of 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?

4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 1969.68 g/mol, XLogP of 26.79, 15 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157437840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).