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

C19H18FN3O2 — CID 46337616

IUPAC1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1ccc(CNc2nccn(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H18FN3O2/c1-25-17-8-4-14(5-9-17)12-22-18-19(24)23(11-10-21-18)13-15-2-6-16(20)7-3-15/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyDDDGQUADFGUXIA-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.05
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one (PubChem CID 46337616) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one
PubChem CID46337616
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one
SMILESCOc1ccc(CNc2nccn(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H18FN3O2/c1-25-17-8-4-14(5-9-17)12-22-18-19(24)23(11-10-21-18)13-15-2-6-16(20)7-3-15/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyDDDGQUADFGUXIA-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-[(4-methoxyphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one (CID 46337616) is 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one is COc1ccc(CNc2nccn(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one?
The InChIKey is DDDGQUADFGUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-17-8-4-14(5-9-17)12-22-18-19(24)23(11-10-21-18)13-15-2-6-16(20)7-3-15/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one?
1-[(4-fluorophenyl)methyl]-3-[(4-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-[(4-methoxyphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 46337616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).