2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

C18H20FN3O3 — CID 129375304

IUPAC2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1C
InChIInChI=1S/C18H20FN3O3/c1-12-9-17(21-20-13(12)2)25-11-18(23)22-7-8-24-16(10-22)14-3-5-15(19)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyMMQMIXUNNJSKSN-MRXNPFEDSA-N
MW345.37 g/mol
LogP2.21
Rot. Bonds4

About 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 129375304) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID129375304
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1C
InChIInChI=1S/C18H20FN3O3/c1-12-9-17(21-20-13(12)2)25-11-18(23)22-7-8-24-16(10-22)14-3-5-15(19)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyMMQMIXUNNJSKSN-MRXNPFEDSA-N
XLogP2.21
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide
CID 6407535
N-[1-[[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-yl]acetamide
CID 122184704
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide
CID 7422517
1-(3-fluorobenzyl)-6-oxo-N-(2-((6-phenylpyridazin-3-yl)oxy)ethyl)-1,6-dihydropyridazine-3-carboxamide
CID 45498060
2-(4-fluorophenyl)-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)acetamide
CID 41527722
1-Benzyl-3-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)urea
CID 42109949
1-(4-(6-(4-Fluorophenyl)pyridazin-3-yl)piperazin-1-yl)-2-phenoxyethanone
CID 42110667
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide
CID 56782715
2-(2-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926781
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926810
2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926840
3-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]propanamide
CID 72117229

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (CID 129375304) is 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is Cc1cc(OCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1C.
What is the InChIKey of 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is MMQMIXUNNJSKSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-9-17(21-20-13(12)2)25-11-18(23)22-7-8-24-16(10-22)14-3-5-15(19)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 345.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129375304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).