3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine

C114H98N22O3S5 — CID 157119405

IUPAC3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(Nc2ccc3nc(C)c(-c4cc5ccccc5s4)n3n2)ccc1C.COc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc(C)c1C.COc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1.Cc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1.Cc1nc2ccc(Nc3cccc(N4CCN(C)CC4)c3)nn2c1-c1cc2ccccc2s1
InChIInChI=1S/C26H26N6S.2C23H20N4OS.C21H16N4OS.C21H16N4S/c1-18-26(23-16-19-6-3-4-9-22(19)33-23)32-25(27-18)11-10-24(29-32)28-20-7-5-8-21(17-20)31-14-12-30(2)13-15-31;1-14-10-17(12-19(28-3)15(14)2)25-22-8-9-23-24-13-18(27(23)26-22)21-11-16-6-4-5-7-20(16)29-21;1-14-8-9-17(13-18(14)28-3)25-21-10-11-22-24-15(2)23(27(22)26-21)20-12-16-6-4-5-7-19(16)29-20;1-26-16-7-4-6-15(12-16)23-20-9-10-21-22-13-17(25(21)24-20)19-11-14-5-2-3-8-18(14)27-19;1-14-6-8-16(9-7-14)23-20-10-11-21-22-13-17(25(21)24-20)19-12-15-4-2-3-5-18(15)26-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,29);2*4-13H,1-3H3,(H,25,26);2-13H,1H3,(H,23,24);2-13H,1H3,(H,23,24)
InChIKeyAHUFTVHCXWKLKQ-UHFFFAOYSA-N
MW1984.52 g/mol
LogP28.40
Rot. Bonds19

About 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine

3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 157119405) has the molecular formula C114H98N22O3S5 and a molecular weight of 1984.52 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID157119405
Molecular FormulaC114H98N22O3S5
Molecular Weight1984.52 g/mol
Exact Mass1982.68
IUPAC Name3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(Nc2ccc3nc(C)c(-c4cc5ccccc5s4)n3n2)ccc1C.COc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc(C)c1C.COc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1.Cc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1.Cc1nc2ccc(Nc3cccc(N4CCN(C)CC4)c3)nn2c1-c1cc2ccccc2s1
InChIInChI=1S/C26H26N6S.2C23H20N4OS.C21H16N4OS.C21H16N4S/c1-18-26(23-16-19-6-3-4-9-22(19)33-23)32-25(27-18)11-10-24(29-32)28-20-7-5-8-21(17-20)31-14-12-30(2)13-15-31;1-14-10-17(12-19(28-3)15(14)2)25-22-8-9-23-24-13-18(27(23)26-22)21-11-16-6-4-5-7-20(16)29-21;1-14-8-9-17(13-18(14)28-3)25-21-10-11-22-24-15(2)23(27(22)26-21)20-12-16-6-4-5-7-19(16)29-20;1-26-16-7-4-6-15(12-16)23-20-9-10-21-22-13-17(25(21)24-20)19-11-14-5-2-3-8-18(14)27-19;1-14-6-8-16(9-7-14)23-20-10-11-21-22-13-17(25(21)24-20)19-12-15-4-2-3-5-18(15)26-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,29);2*4-13H,1-3H3,(H,25,26);2-13H,1H3,(H,23,24);2-13H,1H3,(H,23,24)
InChIKeyAHUFTVHCXWKLKQ-UHFFFAOYSA-N
XLogP28.40
TPSA245.27 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.52
LogP ≤ 528.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 157119405) is 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine is COc1cc(Nc2ccc3nc(C)c(-c4cc5ccccc5s4)n3n2)ccc1C.COc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc(C)c1C.COc1cccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1.Cc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1.Cc1nc2ccc(Nc3cccc(N4CCN(C)CC4)c3)nn2c1-c1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AHUFTVHCXWKLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6S.2C23H20N4OS.C21H16N4OS.C21H16N4S/c1-18-26(23-16-19-6-3-4-9-22(19)33-23)32-25(27-18)11-10-24(29-32)28-20-7-5-8-21(17-20)31-14-12-30(2)13-15-31;1-14-10-17(12-19(28-3)15(14)2)25-22-8-9-23-24-13-18(27(23)26-22)21-11-16-6-4-5-7-20(16)29-21;1-14-8-9-17(13-18(14)28-3)25-21-10-11-22-24-15(2)23(27(22)26-21)20-12-16-6-4-5-7-19(16)29-20;1-26-16-7-4-6-15(12-16)23-20-9-10-21-22-13-17(25(21)24-20)19-11-14-5-2-3-8-18(14)27-19;1-14-6-8-16(9-7-14)23-20-10-11-21-22-13-17(25(21)24-20)19-12-15-4-2-3-5-18(15)26-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,29);2*4-13H,1-3H3,(H,25,26);2-13H,1H3,(H,23,24);2-13H,1H3,(H,23,24).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 1984.52 g/mol, XLogP of 28.40, 19 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxy-4-methylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-2-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 157119405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).