3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine

C19H20FN5O4S — CID 121163387

IUPAC3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C19H20FN5O4S/c1-28-16-4-3-14(20)13-17(16)30(26,27)24-11-7-15(8-12-24)29-19-6-5-18(22-23-19)25-10-2-9-21-25/h2-6,9-10,13,15H,7-8,11-12H2,1H3
InChIKeyZPJBSJWUEFKWNW-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.04
Rot. Bonds6

About 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine

3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine (PubChem CID 121163387) has the molecular formula C19H20FN5O4S and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
PubChem CID121163387
Molecular FormulaC19H20FN5O4S
Molecular Weight433.47 g/mol
Exact Mass433.12
IUPAC Name3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C19H20FN5O4S/c1-28-16-4-3-14(20)13-17(16)30(26,27)24-11-7-15(8-12-24)29-19-6-5-18(22-23-19)25-10-2-9-21-25/h2-6,9-10,13,15H,7-8,11-12H2,1H3
InChIKeyZPJBSJWUEFKWNW-UHFFFAOYSA-N
XLogP2.04
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.04
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-fluoro-4-methoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163245
1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 121163402
3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine
CID 121163444
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163451
(2,3-dimethoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163003
2-(2,4-difluorophenyl)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163240
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
2-(4-fluorophenyl)sulfanyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163128
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163177
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine (CID 121163387) is 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine is COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The InChIKey is ZPJBSJWUEFKWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4S/c1-28-16-4-3-14(20)13-17(16)30(26,27)24-11-7-15(8-12-24)29-19-6-5-18(22-23-19)25-10-2-9-21-25/h2-6,9-10,13,15H,7-8,11-12H2,1H3.
What are the key properties of 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine has a molecular weight of 433.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 121163387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).