N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide

C18H16FN3O5 — CID 54705300

IUPACN-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O
InChIInChI=1S/C18H16FN3O5/c1-27-10-14(23)20-13-9-21-6-7-22(8-11-2-4-12(19)5-3-11)18(26)15(21)17(25)16(13)24/h2-7,9,25H,8,10H2,1H3,(H,20,23)
InChIKeyLYWMPWHEXUORFW-UHFFFAOYSA-N
MW373.34 g/mol
LogP0.94
Rot. Bonds5

About N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide

N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide (PubChem CID 54705300) has the molecular formula C18H16FN3O5 and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide
PubChem CID54705300
Molecular FormulaC18H16FN3O5
Molecular Weight373.34 g/mol
Exact Mass373.11
IUPAC NameN-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O
InChIInChI=1S/C18H16FN3O5/c1-27-10-14(23)20-13-9-21-6-7-22(8-11-2-4-12(19)5-3-11)18(26)15(21)17(25)16(13)24/h2-7,9,25H,8,10H2,1H3,(H,20,23)
InChIKeyLYWMPWHEXUORFW-UHFFFAOYSA-N
XLogP0.94
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide (CID 54705300) is N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide is COCC(=O)Nc1cn2ccn(Cc3ccc(F)cc3)c(=O)c2c(O)c1=O.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide?
The InChIKey is LYWMPWHEXUORFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5/c1-27-10-14(23)20-13-9-21-6-7-22(8-11-2-4-12(19)5-3-11)18(26)15(21)17(25)16(13)24/h2-7,9,25H,8,10H2,1H3,(H,20,23).
What are the key properties of N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide?
N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide has a molecular weight of 373.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide is sourced from PubChem (CID 54705300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).