3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine

C19H20FN5O3S — CID 121163451

IUPAC3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
SMILESO=S(=O)(Cc1ccccc1F)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C19H20FN5O3S/c20-17-5-2-1-4-15(17)14-29(26,27)24-12-8-16(9-13-24)28-19-7-6-18(22-23-19)25-11-3-10-21-25/h1-7,10-11,16H,8-9,12-14H2
InChIKeySFHAAKSSIMHSHF-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.17
Rot. Bonds6

About 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine

3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine (PubChem CID 121163451) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
PubChem CID121163451
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
SMILESO=S(=O)(Cc1ccccc1F)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C19H20FN5O3S/c20-17-5-2-1-4-15(17)14-29(26,27)24-12-8-16(9-13-24)28-19-7-6-18(22-23-19)25-11-3-10-21-25/h1-7,10-11,16H,8-9,12-14H2
InChIKeySFHAAKSSIMHSHF-UHFFFAOYSA-N
XLogP2.17
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylmethyl]-1,2-benzoxazole
CID 121163472
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163360
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019
2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163060
3-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163387
2-(2,4-difluorophenyl)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163240
3-pyrazol-1-yl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridazine
CID 121163444
2-(4-fluorophenyl)sulfanyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163128
1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 121163402
(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
1-adamantyl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121162974

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine (CID 121163451) is 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine is O=S(=O)(Cc1ccccc1F)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
The InChIKey is SFHAAKSSIMHSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c20-17-5-2-1-4-15(17)14-29(26,27)24-12-8-16(9-13-24)28-19-7-6-18(22-23-19)25-11-3-10-21-25/h1-7,10-11,16H,8-9,12-14H2.
What are the key properties of 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine?
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine has a molecular weight of 417.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 121163451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).