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

C20H14FN3O3 — CID 54683507

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1c(-c2ccncc2)cn2ccn(Cc3ccc(F)cc3)c(=O)c2c1O
InChIInChI=1S/C20H14FN3O3/c21-15-3-1-13(2-4-15)11-24-10-9-23-12-16(14-5-7-22-8-6-14)18(25)19(26)17(23)20(24)27/h1-10,12,26H,11H2
InChIKeyHCQULECLTQKYLR-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.42
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683507) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683507
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione
SMILESO=c1c(-c2ccncc2)cn2ccn(Cc3ccc(F)cc3)c(=O)c2c1O
InChIInChI=1S/C20H14FN3O3/c21-15-3-1-13(2-4-15)11-24-10-9-23-12-16(14-5-7-22-8-6-14)18(25)19(26)17(23)20(24)27/h1-10,12,26H,11H2
InChIKeyHCQULECLTQKYLR-UHFFFAOYSA-N
XLogP2.42
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione (CID 54683507) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione is O=c1c(-c2ccncc2)cn2ccn(Cc3ccc(F)cc3)c(=O)c2c1O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is HCQULECLTQKYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-15-3-1-13(2-4-15)11-24-10-9-23-12-16(14-5-7-22-8-6-14)18(25)19(26)17(23)20(24)27/h1-10,12,26H,11H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 363.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-ylpyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).