3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine

C20H25F2N5O2S — CID 122336222

IUPAC3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
SMILESCC1CCN(c2ccc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)nn2)CC1
InChIInChI=1S/C20H25F2N5O2S/c1-15-7-9-25(10-8-15)18-5-6-19(24-23-18)26-11-13-27(14-12-26)30(28,29)20-16(21)3-2-4-17(20)22/h2-6,15H,7-14H2,1H3
InChIKeyRWCVTKRFNCQYCM-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.50
Rot. Bonds4

About 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine

3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine (PubChem CID 122336222) has the molecular formula C20H25F2N5O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
PubChem CID122336222
Molecular FormulaC20H25F2N5O2S
Molecular Weight437.52 g/mol
Exact Mass437.17
IUPAC Name3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
SMILESCC1CCN(c2ccc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)nn2)CC1
InChIInChI=1S/C20H25F2N5O2S/c1-15-7-9-25(10-8-15)18-5-6-19(24-23-18)26-11-13-27(14-12-26)30(28,29)20-16(21)3-2-4-17(20)22/h2-6,15H,7-14H2,1H3
InChIKeyRWCVTKRFNCQYCM-UHFFFAOYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 18584515
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16582431
3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336258
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone
CID 8557991
2-(2-fluorophenyl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122336125
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339868
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
2-methyl-4-[4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 122336263
2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine (CID 122336222) is 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine is CC1CCN(c2ccc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)nn2)CC1.
What is the InChIKey of 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine?
The InChIKey is RWCVTKRFNCQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O2S/c1-15-7-9-25(10-8-15)18-5-6-19(24-23-18)26-11-13-27(14-12-26)30(28,29)20-16(21)3-2-4-17(20)22/h2-6,15H,7-14H2,1H3.
What are the key properties of 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine?
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine has a molecular weight of 437.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 122336222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).