N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C19H20FN3O5 — CID 54718731

IUPACN-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOCCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H20FN3O5/c1-28-9-8-22-6-7-23-11-14(16(24)17(25)15(23)19(22)27)18(26)21-10-12-2-4-13(20)5-3-12/h2-5,11,25H,6-10H2,1H3,(H,21,26)
InChIKeyCOLOTDLDOINPDL-UHFFFAOYSA-N
MW389.38 g/mol
LogP0.73
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 54718731) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID54718731
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOCCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H20FN3O5/c1-28-9-8-22-6-7-23-11-14(16(24)17(25)15(23)19(22)27)18(26)21-10-12-2-4-13(20)5-3-12/h2-5,11,25H,6-10H2,1H3,(H,21,26)
InChIKeyCOLOTDLDOINPDL-UHFFFAOYSA-N
XLogP0.73
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 54718731) is N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is COCCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is COLOTDLDOINPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-28-9-8-22-6-7-23-11-14(16(24)17(25)15(23)19(22)27)18(26)21-10-12-2-4-13(20)5-3-12/h2-5,11,25H,6-10H2,1H3,(H,21,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 54718731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).