5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C18H16F2N4O — CID 69103237

IUPAC5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C18H16F2N4O/c1-10(2)24-9-11(3-6-16(24)25)17-18(23-15(21)8-22-17)13-5-4-12(19)7-14(13)20/h3-10H,1-2H3,(H2,21,23)
InChIKeyFHUXBPOKUPEXFV-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.41
Rot. Bonds3

About 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 69103237) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID69103237
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C18H16F2N4O/c1-10(2)24-9-11(3-6-16(24)25)17-18(23-15(21)8-22-17)13-5-4-12(19)7-14(13)20/h3-10H,1-2H3,(H2,21,23)
InChIKeyFHUXBPOKUPEXFV-UHFFFAOYSA-N
XLogP3.41
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 69103237) is 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is FHUXBPOKUPEXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-10(2)24-9-11(3-6-16(24)25)17-18(23-15(21)8-22-17)13-5-4-12(19)7-14(13)20/h3-10H,1-2H3,(H2,21,23).
What are the key properties of 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 342.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 69103237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).