1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione

C19H13FN4O3 — CID 154854181

IUPAC1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2cccc(F)c2)ccn1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C19H13FN4O3/c20-13-4-3-5-15(10-13)23-9-8-22(18(26)19(23)27)12-14-11-17(25)24-7-2-1-6-16(24)21-14/h1-11H,12H2
InChIKeyTYXXJDJRTQHZJT-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.19
Rot. Bonds3

About 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione

1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione (PubChem CID 154854181) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione
PubChem CID154854181
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Name1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2cccc(F)c2)ccn1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C19H13FN4O3/c20-13-4-3-5-15(10-13)23-9-8-22(18(26)19(23)27)12-14-11-17(25)24-7-2-1-6-16(24)21-14/h1-11H,12H2
InChIKeyTYXXJDJRTQHZJT-UHFFFAOYSA-N
XLogP1.19
TPSA78.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione (CID 154854181) is 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione is O=c1c(=O)n(-c2cccc(F)c2)ccn1Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione?
The InChIKey is TYXXJDJRTQHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c20-13-4-3-5-15(10-13)23-9-8-22(18(26)19(23)27)12-14-11-17(25)24-7-2-1-6-16(24)21-14/h1-11H,12H2.
What are the key properties of 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione?
1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione has a molecular weight of 364.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 154854181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).