2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

C20H20FN5O3 — CID 121163060

IUPAC2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H20FN5O3/c21-16-4-1-2-5-17(16)28-14-20(27)25-12-8-15(9-13-25)29-19-7-6-18(23-24-19)26-11-3-10-22-26/h1-7,10-11,15H,8-9,12-14H2
InChIKeyZKCOJAHMWJLVQQ-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (PubChem CID 121163060) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
PubChem CID121163060
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H20FN5O3/c21-16-4-1-2-5-17(16)28-14-20(27)25-12-8-15(9-13-25)29-19-7-6-18(23-24-19)26-11-3-10-22-26/h1-7,10-11,15H,8-9,12-14H2
InChIKeyZKCOJAHMWJLVQQ-UHFFFAOYSA-N
XLogP2.25
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163056
2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121162979
2-(2,4-difluorophenyl)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163240
2-(4-fluorophenyl)sulfanyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163128
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019
(3-fluoro-4-methoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163245
6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799094
1-adamantyl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121162974
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163451
naphthalen-2-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163039
[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 121163236
N-propyl-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 121163347

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (CID 121163060) is 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is ZKCOJAHMWJLVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c21-16-4-1-2-5-17(16)28-14-20(27)25-12-8-15(9-13-25)29-19-7-6-18(23-24-19)26-11-3-10-22-26/h1-7,10-11,15H,8-9,12-14H2.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 397.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121163060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).