1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone

C20H21N5O4S — CID 121163402

IUPAC1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cccn4)nn3)CC2)c1
InChIInChI=1S/C20H21N5O4S/c1-15(26)16-4-2-5-18(14-16)30(27,28)24-12-8-17(9-13-24)29-20-7-6-19(22-23-20)25-11-3-10-21-25/h2-7,10-11,14,17H,8-9,12-13H2,1H3
InChIKeyIPJLVVIAMBKWSC-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.10
Rot. Bonds6

About 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 121163402) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID121163402
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cccn4)nn3)CC2)c1
InChIInChI=1S/C20H21N5O4S/c1-15(26)16-4-2-5-18(14-16)30(27,28)24-12-8-17(9-13-24)29-20-7-6-19(22-23-20)25-11-3-10-21-25/h2-7,10-11,14,17H,8-9,12-13H2,1H3
InChIKeyIPJLVVIAMBKWSC-UHFFFAOYSA-N
XLogP2.10
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163360
3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine
CID 121163444
1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone
CID 131702421
3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163387
1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 71781202
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019
(4-iodophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163196
2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121162979
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163451
(3-fluoro-4-methoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163245
oxan-4-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163206
1-[3-[3-(triazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 121178845

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone (CID 121163402) is 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cccn4)nn3)CC2)c1.
What is the InChIKey of 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is IPJLVVIAMBKWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-15(26)16-4-2-5-18(14-16)30(27,28)24-12-8-17(9-13-24)29-20-7-6-19(22-23-20)25-11-3-10-21-25/h2-7,10-11,14,17H,8-9,12-13H2,1H3.
What are the key properties of 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 427.49 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 121163402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).