methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate

C18H19FN4O5 — CID 143300452

IUPACmethyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate
SMILESCOC(=O)N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1C
InChIInChI=1S/C18H19FN4O5/c1-10-15-21-13(16(25)20-9-11-3-5-12(19)6-4-11)14(24)17(26)23(15)8-7-22(10)18(27)28-2/h3-6,10,24H,7-9H2,1-2H3,(H,20,25)
InChIKeyQPWJPCJJXDRSKO-UHFFFAOYSA-N
MW390.37 g/mol
LogP1.16
Rot. Bonds3

About methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate

methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate (PubChem CID 143300452) has the molecular formula C18H19FN4O5 and a molecular weight of 390.37 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate
PubChem CID143300452
Molecular FormulaC18H19FN4O5
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Namemethyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate
SMILESCOC(=O)N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1C
InChIInChI=1S/C18H19FN4O5/c1-10-15-21-13(16(25)20-9-11-3-5-12(19)6-4-11)14(24)17(26)23(15)8-7-22(10)18(27)28-2/h3-6,10,24H,7-9H2,1-2H3,(H,20,25)
InChIKeyQPWJPCJJXDRSKO-UHFFFAOYSA-N
XLogP1.16
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate (CID 143300452) is methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate is COC(=O)N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1C.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate?
The InChIKey is QPWJPCJJXDRSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O5/c1-10-15-21-13(16(25)20-9-11-3-5-12(19)6-4-11)14(24)17(26)23(15)8-7-22(10)18(27)28-2/h3-6,10,24H,7-9H2,1-2H3,(H,20,25).
What are the key properties of methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate?
methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate has a molecular weight of 390.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 143300452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).