3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine

C20H24N6O4S — CID 90539738

IUPAC3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c(OC)c1
InChIInChI=1S/C20H24N6O4S/c1-15-21-8-9-26(15)20-7-6-19(22-23-20)24-10-12-25(13-11-24)31(27,28)18-5-4-16(29-2)14-17(18)30-3/h4-9,14H,10-13H2,1-3H3
InChIKeyCHYSHJJLFXDOBY-UHFFFAOYSA-N
MW444.52 g/mol
LogP1.50
Rot. Bonds6

About 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine

3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine (PubChem CID 90539738) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
PubChem CID90539738
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c(OC)c1
InChIInChI=1S/C20H24N6O4S/c1-15-21-8-9-26(15)20-7-6-19(22-23-20)24-10-12-25(13-11-24)31(27,28)18-5-4-16(29-2)14-17(18)30-3/h4-9,14H,10-13H2,1-3H3
InChIKeyCHYSHJJLFXDOBY-UHFFFAOYSA-N
XLogP1.50
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539692
3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539689
3-(2-methylimidazol-1-yl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539688
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 121072462
3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060911
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 56699534
3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121053243
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154829

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine (CID 90539738) is 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c(OC)c1.
What is the InChIKey of 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The InChIKey is CHYSHJJLFXDOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-15-21-8-9-26(15)20-7-6-19(22-23-20)24-10-12-25(13-11-24)31(27,28)18-5-4-16(29-2)14-17(18)30-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine has a molecular weight of 444.52 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine is sourced from PubChem (CID 90539738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).