ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate

C20H25FN4O3 — CID 146242982

IUPACethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(C)CC2)n1
InChIInChI=1S/C20H25FN4O3/c1-3-28-18(26)9-6-16-14-25(17-7-4-15(21)5-8-17)20(27)19(22-16)24-12-10-23(2)11-13-24/h4-5,7-8,14H,3,6,9-13H2,1-2H3
InChIKeyPWZKZSCSTCWIER-UHFFFAOYSA-N
MW388.44 g/mol
LogP1.62
Rot. Bonds6

About ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate

ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate (PubChem CID 146242982) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
PubChem CID146242982
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Nameethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(C)CC2)n1
InChIInChI=1S/C20H25FN4O3/c1-3-28-18(26)9-6-16-14-25(17-7-4-15(21)5-8-17)20(27)19(22-16)24-12-10-23(2)11-13-24/h4-5,7-8,14H,3,6,9-13H2,1-2H3
InChIKeyPWZKZSCSTCWIER-UHFFFAOYSA-N
XLogP1.62
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[2-(6-oxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14879901
3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-propylpyrimidin-4(3H)-one
CID 45535033
1-Ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one
CID 50837376
3-(4-butyrylpiperazino)-1-ethyl-2(1H)-quinoxalinone
CID 50837390
3-(4-Propanoylpiperazin-1-YL)-1-propyl-1,2-dihydroquinoxalin-2-one
CID 53131520
Ethyl 4-(4-(4-fluorophenyl)piperazin-1-yl)-n-butyrate
CID 14879737
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
3-[4-(4-Fluorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146242973
3-[4-(4-Fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146243015
Ethyl 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146243021
3-[4-(4-Fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal
CID 146243040

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate?
The IUPAC name of ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate (CID 146242982) is ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate is CCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(C)CC2)n1.
What is the InChIKey of ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate?
The InChIKey is PWZKZSCSTCWIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-3-28-18(26)9-6-16-14-25(17-7-4-15(21)5-8-17)20(27)19(22-16)24-12-10-23(2)11-13-24/h4-5,7-8,14H,3,6,9-13H2,1-2H3.
What are the key properties of ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate?
ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate has a molecular weight of 388.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate is sourced from PubChem (CID 146242982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).