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

C19H22FN3O4 — CID 146251931

IUPACethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCOCC2)n1
InChIInChI=1S/C19H22FN3O4/c1-2-27-17(24)8-5-15-13-23(16-6-3-14(20)4-7-16)19(25)18(21-15)22-9-11-26-12-10-22/h3-4,6-7,13H,2,5,8-12H2,1H3
InChIKeyDDCQBFZIEVXTAY-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.70
Rot. Bonds6

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

ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate (PubChem CID 146251931) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate
PubChem CID146251931
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Nameethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCOCC2)n1
InChIInChI=1S/C19H22FN3O4/c1-2-27-17(24)8-5-15-13-23(16-6-3-14(20)4-7-16)19(25)18(21-15)22-9-11-26-12-10-22/h3-4,6-7,13H,2,5,8-12H2,1H3
InChIKeyDDCQBFZIEVXTAY-UHFFFAOYSA-N
XLogP1.70
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate?
The IUPAC name of ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate (CID 146251931) is ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate is CCOC(=O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCOCC2)n1.
What is the InChIKey of ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate?
The InChIKey is DDCQBFZIEVXTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-2-27-17(24)8-5-15-13-23(16-6-3-14(20)4-7-16)19(25)18(21-15)22-9-11-26-12-10-22/h3-4,6-7,13H,2,5,8-12H2,1H3.
What are the key properties of ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate?
ethyl 3-[4-(4-fluorophenyl)-6-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate has a molecular weight of 375.40 g/mol, XLogP of 1.70, 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-morpholin-4-yl-5-oxopyrazin-2-yl]propanoate is sourced from PubChem (CID 146251931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).