ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate

C19H19FN2O5 — CID 54676568

IUPACethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate
SMILESCCOC(=O)CC1CN(Cc2ccc(F)cc2)C(=O)c2c(O)c(=O)ccn21
InChIInChI=1S/C19H19FN2O5/c1-2-27-16(24)9-14-11-21(10-12-3-5-13(20)6-4-12)19(26)17-18(25)15(23)7-8-22(14)17/h3-8,14,25H,2,9-11H2,1H3
InChIKeyGSBHUBWOLTXVCH-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.84
Rot. Bonds5

About ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate

ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate (PubChem CID 54676568) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate
PubChem CID54676568
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Nameethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate
SMILESCCOC(=O)CC1CN(Cc2ccc(F)cc2)C(=O)c2c(O)c(=O)ccn21
InChIInChI=1S/C19H19FN2O5/c1-2-27-16(24)9-14-11-21(10-12-3-5-13(20)6-4-12)19(26)17-18(25)15(23)7-8-22(14)17/h3-8,14,25H,2,9-11H2,1H3
InChIKeyGSBHUBWOLTXVCH-UHFFFAOYSA-N
XLogP1.84
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate (CID 54676568) is ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate is CCOC(=O)CC1CN(Cc2ccc(F)cc2)C(=O)c2c(O)c(=O)ccn21.
What is the InChIKey of ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate?
The InChIKey is GSBHUBWOLTXVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-2-27-16(24)9-14-11-21(10-12-3-5-13(20)6-4-12)19(26)17-18(25)15(23)7-8-22(14)17/h3-8,14,25H,2,9-11H2,1H3.
What are the key properties of ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate?
ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate has a molecular weight of 374.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetate is sourced from PubChem (CID 54676568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).