(3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane

C17H18FN3O — CID 16727409

IUPAC(3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane
SMILESFc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)cc1
InChIInChI=1S/C17H18FN3O/c18-14-3-1-12(2-4-14)15-5-6-17(20-19-15)22-16-11-21-9-7-13(16)8-10-21/h1-6,13,16H,7-11H2/t16-/m0/s1
InChIKeyBHXMOCYYBAPUGP-INIZCTEOSA-N
MW299.35 g/mol
LogP2.76
Rot. Bonds3

About (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane

(3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane (PubChem CID 16727409) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane
PubChem CID16727409
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane
SMILESFc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)cc1
InChIInChI=1S/C17H18FN3O/c18-14-3-1-12(2-4-14)15-5-6-17(20-19-15)22-16-11-21-9-7-13(16)8-10-21/h1-6,13,16H,7-11H2/t16-/m0/s1
InChIKeyBHXMOCYYBAPUGP-INIZCTEOSA-N
XLogP2.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-Benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine;hydrate;dihydrochloride
CID 49860482
(3R)-1-[[4-[3-(6-phenoxypyridazin-3-yl)propoxy]phenyl]methyl]piperidin-3-ol
CID 122184700
2-[6-(2-Chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-(cyclohexylmethyl)-7-azaspiro[3.5]nonane
CID 138562192
3-Phenyl-6-{[1-(pyrrolidin-1-ylmethyl)pent-4-en-1-yl]oxy}pyridazine
CID 56746971
4-{2-[(6-Phenylpyridazin-3-YL)oxy]hex-5-EN-1-YL}-1,4-oxazepane
CID 56909615
2-[[6-(2-Chloro-5-fluorophenyl)pyridazin-3-yl]oxymethyl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonane
CID 138562072
2-[6-(2-Chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonane
CID 138562151
2-[6-(2-Chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-(oxan-3-ylmethyl)-7-azaspiro[3.5]nonane
CID 138562222
2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 129375304
4-{2-[(6-Phenylpyridazin-3-YL)oxy]hex-5-EN-1-YL}morpholine
CID 56909570
2-(benzyloxy)-1-[(S)-3-(6-methyl-3-pyridazinyloxy)-1-piperidyl]-1-ethanone
CID 100643153
3-[[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methoxy]-5,6,7,8-tetrahydrocinnoline
CID 164634689

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane (CID 16727409) is (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane is Fc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)cc1.
What is the InChIKey of (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane?
The InChIKey is BHXMOCYYBAPUGP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-3-1-12(2-4-14)15-5-6-17(20-19-15)22-16-11-21-9-7-13(16)8-10-21/h1-6,13,16H,7-11H2/t16-/m0/s1.
What are the key properties of (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane?
(3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane has a molecular weight of 299.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[6-(4-fluorophenyl)pyridazin-3-yl]oxy-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 16727409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).