2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C19H19FN2O4 — CID 54705357

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)C(=O)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H19FN2O4/c1-11(2)16(23)14-10-21-7-8-22(9-12-3-5-13(20)6-4-12)19(26)15(21)18(25)17(14)24/h3-6,10-11,25H,7-9H2,1-2H3
InChIKeyCQUYUQUTTBJHFY-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.19
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54705357) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54705357
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)C(=O)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H19FN2O4/c1-11(2)16(23)14-10-21-7-8-22(9-12-3-5-13(20)6-4-12)19(26)15(21)18(25)17(14)24/h3-6,10-11,25H,7-9H2,1-2H3
InChIKeyCQUYUQUTTBJHFY-UHFFFAOYSA-N
XLogP2.19
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54705357) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC(C)C(=O)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is CQUYUQUTTBJHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-11(2)16(23)14-10-21-7-8-22(9-12-3-5-13(20)6-4-12)19(26)15(21)18(25)17(14)24/h3-6,10-11,25H,7-9H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 358.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54705357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).