1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one

C19H18FN3O2 — CID 46337612

IUPAC1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1ccccc1CNc1nccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H18FN3O2/c1-25-17-5-3-2-4-15(17)12-22-18-19(24)23(11-10-21-18)13-14-6-8-16(20)9-7-14/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyYOAUMPUKCPJIOA-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.05
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one

1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one (PubChem CID 46337612) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
PubChem CID46337612
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1ccccc1CNc1nccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H18FN3O2/c1-25-17-5-3-2-4-15(17)12-22-18-19(24)23(11-10-21-18)13-14-6-8-16(20)9-7-14/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyYOAUMPUKCPJIOA-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one (CID 46337612) is 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one is COc1ccccc1CNc1nccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one?
The InChIKey is YOAUMPUKCPJIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-17-5-3-2-4-15(17)12-22-18-19(24)23(11-10-21-18)13-14-6-8-16(20)9-7-14/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one?
1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one has a molecular weight of 339.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 46337612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).