1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one

C29H33FN2O4 — CID 58190180

IUPAC1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCOCC4)c3)nc2)cc1
InChIInChI=1S/C29H33FN2O4/c1-2-35-28-9-5-23(6-10-28)24-4-7-26(31-21-24)20-27(33)8-3-22-17-25(30)19-29(18-22)36-16-13-32-11-14-34-15-12-32/h4-7,9-10,17-19,21H,2-3,8,11-16,20H2,1H3
InChIKeyLCLMHHVSWVXDGN-UHFFFAOYSA-N
MW492.59 g/mol
LogP4.74
Rot. Bonds12

About 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one

1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one (PubChem CID 58190180) has the molecular formula C29H33FN2O4 and a molecular weight of 492.59 g/mol. Its IUPAC name is 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one.

Molecular Properties

Compound Name1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one
PubChem CID58190180
Molecular FormulaC29H33FN2O4
Molecular Weight492.59 g/mol
Exact Mass492.24
IUPAC Name1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCOCC4)c3)nc2)cc1
InChIInChI=1S/C29H33FN2O4/c1-2-35-28-9-5-23(6-10-28)24-4-7-26(31-21-24)20-27(33)8-3-22-17-25(30)19-29(18-22)36-16-13-32-11-14-34-15-12-32/h4-7,9-10,17-19,21H,2-3,8,11-16,20H2,1H3
InChIKeyLCLMHHVSWVXDGN-UHFFFAOYSA-N
XLogP4.74
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one with MolForge

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Related Compounds

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CID 23635314
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CID 155925939
sodium (2S,3R)-3-cyclopropyl-3-[2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145955958
Aminopyridine N-oxide, 58
CID 24746456
(4-Fluorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
CID 162646656
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
2-[4-(4-Fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
CID 10179509
5-(4-Methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
CID 10386162
3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butoxy)phenyl)propanoic acid
CID 11155087
3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoromethyl)phenoxy)butoxy)phenyl)propanoic acid
CID 11409173
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one?
The IUPAC name of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one (CID 58190180) is 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one.
What is the SMILES notation for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one?
The canonical SMILES for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one is CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCOCC4)c3)nc2)cc1.
What is the InChIKey of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one?
The InChIKey is LCLMHHVSWVXDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O4/c1-2-35-28-9-5-23(6-10-28)24-4-7-26(31-21-24)20-27(33)8-3-22-17-25(30)19-29(18-22)36-16-13-32-11-14-34-15-12-32/h4-7,9-10,17-19,21H,2-3,8,11-16,20H2,1H3.
What are the key properties of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one?
1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one has a molecular weight of 492.59 g/mol, XLogP of 4.74, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one is sourced from PubChem (CID 58190180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).