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

C132H125N29OS6 — CID 159737735

IUPAC3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1cc2cc(-c3cnc4ccc(NC5CCC(C)CC5)nn34)sc2cc1C.Cc1ccc(N(C)c2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12
InChIInChI=1S/C23H21N5S.C23H26N4S.3C22H19N5S.C20H21N5OS/c1-14-5-6-18(9-15(14)2)27(4)22-8-7-21-25-13-19(28(21)26-22)20-10-17-12-24-11-16(3)23(17)29-20;1-14-4-6-18(7-5-14)25-22-8-9-23-24-13-19(27(23)26-22)21-12-17-10-15(2)16(3)11-20(17)28-21;3*1-13-4-5-17(8-14(13)2)25-20-6-7-21-24-12-18(27(21)26-20)19-9-16-11-23-10-15(3)22(16)28-19;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/h5-13H,1-4H3;8-14,18H,4-7H2,1-3H3,(H,25,26);3*4-12H,1-3H3,(H,25,26);6-11,14-15,26H,2-5H2,1H3,(H,23,24)
InChIKeyNCAWJXQNSNHCTG-UHFFFAOYSA-N
MW2326.06 g/mol
LogP32.97
Rot. Bonds18

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

3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 159737735) has the molecular formula C132H125N29OS6 and a molecular weight of 2326.06 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID159737735
Molecular FormulaC132H125N29OS6
Molecular Weight2326.06 g/mol
Exact Mass2323.89
IUPAC Name3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1cc2cc(-c3cnc4ccc(NC5CCC(C)CC5)nn34)sc2cc1C.Cc1ccc(N(C)c2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12
InChIInChI=1S/C23H21N5S.C23H26N4S.3C22H19N5S.C20H21N5OS/c1-14-5-6-18(9-15(14)2)27(4)22-8-7-21-25-13-19(28(21)26-22)20-10-17-12-24-11-16(3)23(17)29-20;1-14-4-6-18(7-5-14)25-22-8-9-23-24-13-19(27(23)26-22)21-12-17-10-15(2)16(3)11-20(17)28-21;3*1-13-4-5-17(8-14(13)2)25-20-6-7-21-24-12-18(27(21)26-20)19-9-16-11-23-10-15(3)22(16)28-19;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/h5-13H,1-4H3;8-14,18H,4-7H2,1-3H3,(H,25,26);3*4-12H,1-3H3,(H,25,26);6-11,14-15,26H,2-5H2,1H3,(H,23,24)
InChIKeyNCAWJXQNSNHCTG-UHFFFAOYSA-N
XLogP32.97
TPSA329.21 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002326.06
LogP ≤ 532.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);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 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 159737735) is 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);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 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);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 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1cc2cc(-c3cnc4ccc(NC5CCC(C)CC5)nn34)sc2cc1C.Cc1ccc(N(C)c2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1C.Cc1cncc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12.
What is the InChIKey of 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is NCAWJXQNSNHCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5S.C23H26N4S.3C22H19N5S.C20H21N5OS/c1-14-5-6-18(9-15(14)2)27(4)22-8-7-21-25-13-19(28(21)26-22)20-10-17-12-24-11-16(3)23(17)29-20;1-14-4-6-18(7-5-14)25-22-8-9-23-24-13-19(27(23)26-22)21-12-17-10-15(2)16(3)11-20(17)28-21;3*1-13-4-5-17(8-14(13)2)25-20-6-7-21-24-12-18(27(21)26-20)19-9-16-11-23-10-15(3)22(16)28-19;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/h5-13H,1-4H3;8-14,18H,4-7H2,1-3H3,(H,25,26);3*4-12H,1-3H3,(H,25,26);6-11,14-15,26H,2-5H2,1H3,(H,23,24).
What are the key properties of 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);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 2326.06 g/mol, XLogP of 32.97, 18 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-N-methyl-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;tris(N-(3,4-dimethylphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine);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 159737735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).