5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one

C23H20FN3O — CID 141315303

IUPAC5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(CN3C=CN=CC3c3ccccc3)cc2F)ccc1=O
InChIInChI=1S/C23H20FN3O/c1-26-16-19(8-10-23(26)28)20-9-7-17(13-21(20)24)15-27-12-11-25-14-22(27)18-5-3-2-4-6-18/h2-14,16,22H,15H2,1H3
InChIKeyHROSZJMIQDOPOY-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.29
Rot. Bonds4

About 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one

5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one (PubChem CID 141315303) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one
PubChem CID141315303
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(CN3C=CN=CC3c3ccccc3)cc2F)ccc1=O
InChIInChI=1S/C23H20FN3O/c1-26-16-19(8-10-23(26)28)20-9-7-17(13-21(20)24)15-27-12-11-25-14-22(27)18-5-3-2-4-6-18/h2-14,16,22H,15H2,1H3
InChIKeyHROSZJMIQDOPOY-UHFFFAOYSA-N
XLogP4.29
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one (CID 141315303) is 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one is Cn1cc(-c2ccc(CN3C=CN=CC3c3ccccc3)cc2F)ccc1=O.
What is the InChIKey of 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one?
The InChIKey is HROSZJMIQDOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-26-16-19(8-10-23(26)28)20-9-7-17(13-21(20)24)15-27-12-11-25-14-22(27)18-5-3-2-4-6-18/h2-14,16,22H,15H2,1H3.
What are the key properties of 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one?
5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one has a molecular weight of 373.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[(2-phenyl-2H-pyrazin-1-yl)methyl]phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 141315303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).