3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine

C20H24F3N5O3S — CID 122334805

IUPAC3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C20H24F3N5O3S/c21-20(22,23)31-16-6-2-3-7-17(16)32(29,30)28-14-12-27(13-15-28)19-9-8-18(24-25-19)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-15H2
InChIKeyJLUCMMRFIJUFHO-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.88
Rot. Bonds5

About 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine

3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine (PubChem CID 122334805) has the molecular formula C20H24F3N5O3S and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine
PubChem CID122334805
Molecular FormulaC20H24F3N5O3S
Molecular Weight471.51 g/mol
Exact Mass471.16
IUPAC Name3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C20H24F3N5O3S/c21-20(22,23)31-16-6-2-3-7-17(16)32(29,30)28-14-12-27(13-15-28)19-9-8-18(24-25-19)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-15H2
InChIKeyJLUCMMRFIJUFHO-UHFFFAOYSA-N
XLogP2.88
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122
[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122334401
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122334539
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
4-(4,5-dimethylimidazol-1-yl)-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122345592
4-(4,5-dimethylimidazol-1-yl)-2-methyl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122345265
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 55512284
(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
4-methyl-N-(4-methylphenyl)-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 122348539

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine (CID 122334805) is 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine is O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is JLUCMMRFIJUFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O3S/c21-20(22,23)31-16-6-2-3-7-17(16)32(29,30)28-14-12-27(13-15-28)19-9-8-18(24-25-19)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-15H2.
What are the key properties of 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine?
3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 471.51 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 122334805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).