1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one

C20H19F2N3O3 — CID 18591923

IUPAC1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
SMILESCOc1ccc(CCNc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1OC
InChIInChI=1S/C20H19F2N3O3/c1-27-17-6-3-13(11-18(17)28-2)7-8-23-19-20(26)25(10-9-24-19)14-4-5-15(21)16(22)12-14/h3-6,9-12H,7-8H2,1-2H3,(H,23,24)
InChIKeySPOLIUINXHGXKA-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.18
Rot. Bonds7

About 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one

1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one (PubChem CID 18591923) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
PubChem CID18591923
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
SMILESCOc1ccc(CCNc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1OC
InChIInChI=1S/C20H19F2N3O3/c1-27-17-6-3-13(11-18(17)28-2)7-8-23-19-20(26)25(10-9-24-19)14-4-5-15(21)16(22)12-14/h3-6,9-12H,7-8H2,1-2H3,(H,23,24)
InChIKeySPOLIUINXHGXKA-UHFFFAOYSA-N
XLogP3.18
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337598
3-[2-(3,4-diethoxyphenyl)ethylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 18592076
4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941642
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 20941589
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one (CID 18591923) is 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one is COc1ccc(CCNc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one?
The InChIKey is SPOLIUINXHGXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-27-17-6-3-13(11-18(17)28-2)7-8-23-19-20(26)25(10-9-24-19)14-4-5-15(21)16(22)12-14/h3-6,9-12H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one?
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one has a molecular weight of 387.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 18591923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).