6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane

C115H112F2N16O16S2 — CID 158210022

IUPAC6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane
SMILESC.CCS(=O)(=O)c1ccc(-c2c(C)nc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1.COc1ccc(-c2c(C)nc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1F.COc1ccc(-c2ccc3nc(C)c(-c4ccc(CC#N)cc4)n3n2)cc1OC.COc1ccc(-c2ccc3nc(C)c(-c4ccc(CCCO)cc4)n3n2)cc1OC.COc1ccc(-c2ccc3nc(C)c(-c4ccc(S(C)(=O)=O)c(F)c4)n3n2)cc1OC
InChIInChI=1S/C24H25N3O3.C23H20N4O2.C23H23N3O4S.C22H20FN3O4S.C22H20FN3O3.CH4/c1-16-24(18-8-6-17(7-9-18)5-4-14-28)27-23(25-16)13-11-20(26-27)19-10-12-21(29-2)22(15-19)30-3;1-15-23(17-6-4-16(5-7-17)12-13-24)27-22(25-15)11-9-19(26-27)18-8-10-20(28-2)21(14-18)29-3;1-5-31(27,28)18-9-6-16(7-10-18)23-15(2)24-22-13-11-19(25-26(22)23)17-8-12-20(29-3)21(14-17)30-4;1-13-22(15-6-9-20(16(23)11-15)31(4,27)28)26-21(24-13)10-7-17(25-26)14-5-8-18(29-2)19(12-14)30-3;1-13-22(15-6-8-18(27-2)16(23)11-15)26-21(24-13)10-7-17(25-26)14-5-9-19(28-3)20(12-14)29-4;/h6-13,15,28H,4-5,14H2,1-3H3;4-11,14H,12H2,1-3H3;6-14H,5H2,1-4H3;5-12H,1-4H3;5-12H,1-4H3;1H4
InChIKeyGBYQAYLOOVLPQQ-UHFFFAOYSA-N
MW2076.39 g/mol
LogP22.06
Rot. Bonds28

About 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane

6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane (PubChem CID 158210022) has the molecular formula C115H112F2N16O16S2 and a molecular weight of 2076.39 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane
PubChem CID158210022
Molecular FormulaC115H112F2N16O16S2
Molecular Weight2076.39 g/mol
Exact Mass2074.79
IUPAC Name6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane
SMILESC.CCS(=O)(=O)c1ccc(-c2c(C)nc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1.COc1ccc(-c2c(C)nc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1F.COc1ccc(-c2ccc3nc(C)c(-c4ccc(CC#N)cc4)n3n2)cc1OC.COc1ccc(-c2ccc3nc(C)c(-c4ccc(CCCO)cc4)n3n2)cc1OC.COc1ccc(-c2ccc3nc(C)c(-c4ccc(S(C)(=O)=O)c(F)c4)n3n2)cc1OC
InChIInChI=1S/C24H25N3O3.C23H20N4O2.C23H23N3O4S.C22H20FN3O4S.C22H20FN3O3.CH4/c1-16-24(18-8-6-17(7-9-18)5-4-14-28)27-23(25-16)13-11-20(26-27)19-10-12-21(29-2)22(15-19)30-3;1-15-23(17-6-4-16(5-7-17)12-13-24)27-22(25-15)11-9-19(26-27)18-8-10-20(28-2)21(14-18)29-3;1-5-31(27,28)18-9-6-16(7-10-18)23-15(2)24-22-13-11-19(25-26(22)23)17-8-12-20(29-3)21(14-17)30-4;1-13-22(15-6-9-20(16(23)11-15)31(4,27)28)26-21(24-13)10-7-17(25-26)14-5-8-18(29-2)19(12-14)30-3;1-13-22(15-6-8-18(27-2)16(23)11-15)26-21(24-13)10-7-17(25-26)14-5-9-19(28-3)20(12-14)29-4;/h6-13,15,28H,4-5,14H2,1-3H3;4-11,14H,12H2,1-3H3;6-14H,5H2,1-4H3;5-12H,1-4H3;5-12H,1-4H3;1H4
InChIKeyGBYQAYLOOVLPQQ-UHFFFAOYSA-N
XLogP22.06
TPSA364.78 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002076.39
LogP ≤ 522.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane (CID 158210022) is 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane is C.CCS(=O)(=O)c1ccc(-c2c(C)nc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1.COc1ccc(-c2c(C)nc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1F.COc1ccc(-c2ccc3nc(C)c(-c4ccc(CC#N)cc4)n3n2)cc1OC.COc1ccc(-c2ccc3nc(C)c(-c4ccc(CCCO)cc4)n3n2)cc1OC.COc1ccc(-c2ccc3nc(C)c(-c4ccc(S(C)(=O)=O)c(F)c4)n3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane?
The InChIKey is GBYQAYLOOVLPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.C23H20N4O2.C23H23N3O4S.C22H20FN3O4S.C22H20FN3O3.CH4/c1-16-24(18-8-6-17(7-9-18)5-4-14-28)27-23(25-16)13-11-20(26-27)19-10-12-21(29-2)22(15-19)30-3;1-15-23(17-6-4-16(5-7-17)12-13-24)27-22(25-15)11-9-19(26-27)18-8-10-20(28-2)21(14-18)29-3;1-5-31(27,28)18-9-6-16(7-10-18)23-15(2)24-22-13-11-19(25-26(22)23)17-8-12-20(29-3)21(14-17)30-4;1-13-22(15-6-9-20(16(23)11-15)31(4,27)28)26-21(24-13)10-7-17(25-26)14-5-8-18(29-2)19(12-14)30-3;1-13-22(15-6-8-18(27-2)16(23)11-15)26-21(24-13)10-7-17(25-26)14-5-9-19(28-3)20(12-14)29-4;/h6-13,15,28H,4-5,14H2,1-3H3;4-11,14H,12H2,1-3H3;6-14H,5H2,1-4H3;5-12H,1-4H3;5-12H,1-4H3;1H4.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane?
6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane has a molecular weight of 2076.39 g/mol, XLogP of 22.06, 28 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazine;2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]acetonitrile;3-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]propan-1-ol;methane is sourced from PubChem (CID 158210022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).