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

C20H19FN2O4 — CID 54683549

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)CC(=O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O
InChIInChI=1S/C20H19FN2O4/c1-12(2)9-16(24)15-11-22-7-8-23(10-13-3-5-14(21)6-4-13)20(27)17(22)19(26)18(15)25/h3-8,11-12,26H,9-10H2,1-2H3
InChIKeyBUXFGAJNVGXANH-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.58
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683549) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683549
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(C)CC(=O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O
InChIInChI=1S/C20H19FN2O4/c1-12(2)9-16(24)15-11-22-7-8-23(10-13-3-5-14(21)6-4-13)20(27)17(22)19(26)18(15)25/h3-8,11-12,26H,9-10H2,1-2H3
InChIKeyBUXFGAJNVGXANH-UHFFFAOYSA-N
XLogP2.58
TPSA80.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione (CID 54683549) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione is CC(C)CC(=O)c1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is BUXFGAJNVGXANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-12(2)9-16(24)15-11-22-7-8-23(10-13-3-5-14(21)6-4-13)20(27)17(22)19(26)18(15)25/h3-8,11-12,26H,9-10H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 370.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).