2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione

C21H16FN3O3 — CID 54683395

IUPAC2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESCc1cn(Cc2cccc(F)c2)c(=O)c2c(O)c(=O)c(-c3ccccn3)cn12
InChIInChI=1S/C21H16FN3O3/c1-13-10-24(11-14-5-4-6-15(22)9-14)21(28)18-20(27)19(26)16(12-25(13)18)17-7-2-3-8-23-17/h2-10,12,27H,11H2,1H3
InChIKeyFUXJYFYKCGRNEV-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.72
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione

2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683395) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683395
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESCc1cn(Cc2cccc(F)c2)c(=O)c2c(O)c(=O)c(-c3ccccn3)cn12
InChIInChI=1S/C21H16FN3O3/c1-13-10-24(11-14-5-4-6-15(22)9-14)21(28)18-20(27)19(26)16(12-25(13)18)17-7-2-3-8-23-17/h2-10,12,27H,11H2,1H3
InChIKeyFUXJYFYKCGRNEV-UHFFFAOYSA-N
XLogP2.72
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-methyl-6-oxo-5-pyridin-2-ylpyridine-3-carboxamide
CID 160904999
4-[(3-fluorophenyl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 51102937
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrimidin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
CID 54683443
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
1-[(3-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63279058
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352
2-(1-benzyl-4-methylpyrrol-2-yl)pyridine
CID 86011752
3-[(3-fluorophenyl)methyl]-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-one
CID 21090105
3-[(3-chlorophenyl)methyl]-5-hydroxypyrazino[1,2-a]quinoline-4,6-dione
CID 54683575
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 156596090
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 10287556

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione (CID 54683395) is 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione is Cc1cn(Cc2cccc(F)c2)c(=O)c2c(O)c(=O)c(-c3ccccn3)cn12.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is FUXJYFYKCGRNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-13-10-24(11-14-5-4-6-15(22)9-14)21(28)18-20(27)19(26)16(12-25(13)18)17-7-2-3-8-23-17/h2-10,12,27H,11H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione?
2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 377.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-9-hydroxy-4-methyl-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).