3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal

C17H18FN3O3 — CID 146251810

IUPAC3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal
SMILESO=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCOCC2)n1
InChIInChI=1S/C17H18FN3O3/c18-13-3-5-15(6-4-13)21-12-14(2-1-9-22)19-16(17(21)23)20-7-10-24-11-8-20/h3-6,9,12H,1-2,7-8,10-11H2
InChIKeyMEFDEQWZVZBTSW-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.34
Rot. Bonds5

About 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal

3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal (PubChem CID 146251810) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal
PubChem CID146251810
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal
SMILESO=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCOCC2)n1
InChIInChI=1S/C17H18FN3O3/c18-13-3-5-15(6-4-13)21-12-14(2-1-9-22)19-16(17(21)23)20-7-10-24-11-8-20/h3-6,9,12H,1-2,7-8,10-11H2
InChIKeyMEFDEQWZVZBTSW-UHFFFAOYSA-N
XLogP1.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-Fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 651499
3-(4-fluorophenyl)-5-morpholin-4-yl-4H-imidazol-2-one
CID 11499918
3-(3-fluoro-4-morpholinophenyl)-2,6-dimethylpyrimidin-4(3H)-one
CID 72948204
2-(2-(4-(2-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-8-morpholino-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 49663360
6-fluoro-3-morpholin-4-yl-1H-quinoxalin-2-one
CID 146168907
2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 3229520
3-[4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one
CID 72949657
3-(3-fluoro-4-(methyl(2-morpholinoethyl)amino)phenyl)-2,6-dimethylpyrimidin-4(3H)-one
CID 72949834
1-(4-Fluoro-3-morpholin-4-ylphenyl)-2,4-dimethyl-4,5-dihydropyrimidin-6-one
CID 90051785
3-[4-(3,5-Dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one
CID 123583774
4-[6-(3-Ethoxy-3-oxopropyl)-4-(4-fluorophenyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242933
3-[4-(4-Fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid
CID 146242961

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal?
The IUPAC name of 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal (CID 146251810) is 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal?
The canonical SMILES for 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal is O=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCOCC2)n1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal?
The InChIKey is MEFDEQWZVZBTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-3-5-15(6-4-13)21-12-14(2-1-9-22)19-16(17(21)23)20-7-10-24-11-8-20/h3-6,9,12H,1-2,7-8,10-11H2.
What are the key properties of 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal?
3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal has a molecular weight of 331.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal is sourced from PubChem (CID 146251810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).