ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate

C20H25N3O6S — CID 146251932

IUPACethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn(-c2ccc(S(C)(=O)=O)cc2)c(=O)c(N2CCOCC2)n1
InChIInChI=1S/C20H25N3O6S/c1-3-29-18(24)9-4-15-14-23(16-5-7-17(8-6-16)30(2,26)27)20(25)19(21-15)22-10-12-28-13-11-22/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyDWENCEWJFRYUPB-UHFFFAOYSA-N
MW435.50 g/mol
LogP0.97
Rot. Bonds7

About ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate

ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate (PubChem CID 146251932) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate
PubChem CID146251932
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC Nameethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn(-c2ccc(S(C)(=O)=O)cc2)c(=O)c(N2CCOCC2)n1
InChIInChI=1S/C20H25N3O6S/c1-3-29-18(24)9-4-15-14-23(16-5-7-17(8-6-16)30(2,26)27)20(25)19(21-15)22-10-12-28-13-11-22/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyDWENCEWJFRYUPB-UHFFFAOYSA-N
XLogP0.97
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate
CID 146251931
Ethyl 3-[4-[4-(dimethylsulfamoyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242951
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-ethoxy-3-oxopropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242963
3-[4-(4-Methylsulfonylphenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]propanal
CID 146242986
N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide
CID 146243050
Ethyl 3-[4-(4-methylsulfonylphenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]propanoate
CID 146243051
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243076
4-[4-[4-(Dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243085
Tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-6-(3-ethoxy-3-oxopropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylate
CID 146251815
5-(3-Hydroxypropyl)-1-(4-methylsulfonylphenyl)-3-morpholin-4-ylpyrazin-2-one
CID 146251918
3-[4-(4-Methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanal
CID 146251923
Tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 146251935

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate?
The IUPAC name of ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate (CID 146251932) is ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate is CCOC(=O)CCc1cn(-c2ccc(S(C)(=O)=O)cc2)c(=O)c(N2CCOCC2)n1.
What is the InChIKey of ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate?
The InChIKey is DWENCEWJFRYUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-3-29-18(24)9-4-15-14-23(16-5-7-17(8-6-16)30(2,26)27)20(25)19(21-15)22-10-12-28-13-11-22/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate?
ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate has a molecular weight of 435.50 g/mol, XLogP of 0.97, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-methylsulfonylphenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate is sourced from PubChem (CID 146251932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).