methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate

C17H15FN2O5 — CID 143248055

IUPACmethyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)c(O)c2n1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C17H15FN2O5/c1-25-17(24)12-8-13(21)15(22)14-16(23)19(6-7-20(12)14)9-10-2-4-11(18)5-3-10/h2-5,8,22H,6-7,9H2,1H3
InChIKeyJJDVJWVFVIRFGJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.14
Rot. Bonds3

About methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate

methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate (PubChem CID 143248055) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate
PubChem CID143248055
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Namemethyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)c(O)c2n1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C17H15FN2O5/c1-25-17(24)12-8-13(21)15(22)14-16(23)19(6-7-20(12)14)9-10-2-4-11(18)5-3-10/h2-5,8,22H,6-7,9H2,1H3
InChIKeyJJDVJWVFVIRFGJ-UHFFFAOYSA-N
XLogP1.14
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate with MolForge

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Related Compounds

2-[(4-Fluorophenyl)methyl]-9-hydroxy-6-(2-hydroxy-3,3-dimethyl-butyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54683423
2-[(4-Fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54683511
2-[(4-Fluorophenyl)methyl]-9-hydroxy-pyrido[1,2-a]pyrazine-1,8-dione
CID 54683653
methyl 6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxylate
CID 54692262
N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-pyrido[1,2-a]pyrazin-7-yl]-2-methoxy-acetamide
CID 54705300
6-Ethyl-12-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxa-1,12-diazatricyclo[8.4.0.02,7]tetradeca-2(7),9-diene-8,11-dione
CID 86304129
12-[(4-Fluorophenyl)methyl]-9-hydroxy-6-propan-2-yl-4-oxa-1,12-diazatricyclo[8.4.0.02,7]tetradeca-2(7),9-diene-8,11-dione
CID 86304133
5-[(4-Fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione
CID 118908027
Methyl 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-pyrido[1,2-a]pyrazine-4-carboxylate
CID 54683399
Methyl 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate
CID 54683455
Methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 52935970
Methyl 4-[[1-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 52936181

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate (CID 143248055) is methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate is COC(=O)c1cc(=O)c(O)c2n1CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate?
The InChIKey is JJDVJWVFVIRFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5/c1-25-17(24)12-8-13(21)15(22)14-16(23)19(6-7-20(12)14)9-10-2-4-11(18)5-3-10/h2-5,8,22H,6-7,9H2,1H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate?
methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate has a molecular weight of 346.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 143248055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).