4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one

C23H29F3N4O3 — CID 159172914

IUPAC4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one
SMILESCCOc1ncc(CC(=O)CCc2cc(C)c(N3CC(C)OC(C)C3)nn2)cc1C(F)(F)F
InChIInChI=1S/C23H29F3N4O3/c1-5-32-22-20(23(24,25)26)10-17(11-27-22)9-19(31)7-6-18-8-14(2)21(29-28-18)30-12-15(3)33-16(4)13-30/h8,10-11,15-16H,5-7,9,12-13H2,1-4H3
InChIKeyKLXLPJYOVCWQBX-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.96
Rot. Bonds8

About 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one

4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one (PubChem CID 159172914) has the molecular formula C23H29F3N4O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one
PubChem CID159172914
Molecular FormulaC23H29F3N4O3
Molecular Weight466.50 g/mol
Exact Mass466.22
IUPAC Name4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one
SMILESCCOc1ncc(CC(=O)CCc2cc(C)c(N3CC(C)OC(C)C3)nn2)cc1C(F)(F)F
InChIInChI=1S/C23H29F3N4O3/c1-5-32-22-20(23(24,25)26)10-17(11-27-22)9-19(31)7-6-18-8-14(2)21(29-28-18)30-12-15(3)33-16(4)13-30/h8,10-11,15-16H,5-7,9,12-13H2,1-4H3
InChIKeyKLXLPJYOVCWQBX-UHFFFAOYSA-N
XLogP3.96
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-(4-fluorobenzyl)-N-methyl-6-{2-oxo-2-[4-(2-pyridinylmethoxy)-1-piperidinyl]ethoxy}-3-pyridazinamine
CID 42407410
1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100643004
2-[[6-(2-Ethoxypyridin-3-yl)pyridazin-3-yl](methyl)amino]ethanol
CID 121499558
6-[(1S)-1-[(3R,4S)-4-(3,4-difluorophenyl)-1-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 58171831
(4S)-1-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255239
(4S)-1-[5-fluoro-6-[(3R)-3-methylmorpholin-4-yl]-3-pyridinyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255285
(4S)-1-(6-morpholin-4-yl-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255308
2-[5-[6-[4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]pyridin-3-yl]acetic acid
CID 59139760
CID 89282057
CID 89282057
2-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-1-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
CID 134503543
3-[(3R,4S)-3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4,6-dimethylpyridazine
CID 135154335
1-N'-[5-(1,1-difluoroethyl)-6-ethoxypyridin-3-yl]-1-N-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]ethene-1,1-diamine
CID 145361108

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one?
The IUPAC name of 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one (CID 159172914) is 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one.
What is the SMILES notation for 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one?
The canonical SMILES for 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one is CCOc1ncc(CC(=O)CCc2cc(C)c(N3CC(C)OC(C)C3)nn2)cc1C(F)(F)F.
What is the InChIKey of 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one?
The InChIKey is KLXLPJYOVCWQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O3/c1-5-32-22-20(23(24,25)26)10-17(11-27-22)9-19(31)7-6-18-8-14(2)21(29-28-18)30-12-15(3)33-16(4)13-30/h8,10-11,15-16H,5-7,9,12-13H2,1-4H3.
What are the key properties of 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one?
4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one has a molecular weight of 466.50 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]-1-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]butan-2-one is sourced from PubChem (CID 159172914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).