3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C18H20N6O3S — CID 90539670

IUPAC3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C18H20N6O3S/c1-27-15-4-2-3-5-16(15)28(25,26)24-12-10-22(11-13-24)17-6-7-18(21-20-17)23-9-8-19-14-23/h2-9,14H,10-13H2,1H3
InChIKeyCASWIAGOHYQKIC-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.18
Rot. Bonds5

About 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 90539670) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID90539670
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C18H20N6O3S/c1-27-15-4-2-3-5-16(15)28(25,26)24-12-10-22(11-13-24)17-6-7-18(21-20-17)23-9-8-19-14-23/h2-9,14H,10-13H2,1H3
InChIKeyCASWIAGOHYQKIC-UHFFFAOYSA-N
XLogP1.18
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine
CID 90539599
3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121061006
3-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060911
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
4-imidazol-1-yl-6-[4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700187
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 122334805
1-(3,5-dichloro-4-pyridinyl)-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 24852724

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 90539670) is 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is COc1ccccc1S(=O)(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is CASWIAGOHYQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-27-15-4-2-3-5-16(15)28(25,26)24-12-10-22(11-13-24)17-6-7-18(21-20-17)23-9-8-19-14-23/h2-9,14H,10-13H2,1H3.
What are the key properties of 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 400.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 90539670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).