3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one

C19H16BrF2N3O2 — CID 22050158

IUPAC3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
SMILESCc1cnc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1
InChIInChI=1S/C19H16BrF2N3O2/c1-11-7-24-15(8-23-11)9-25-12(2)5-17(18(20)19(25)26)27-10-13-3-4-14(21)6-16(13)22/h3-8H,9-10H2,1-2H3
InChIKeyQTBNYCDGLYVQPT-UHFFFAOYSA-N
MW436.26 g/mol
LogP3.92
Rot. Bonds5

About 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one

3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one (PubChem CID 22050158) has the molecular formula C19H16BrF2N3O2 and a molecular weight of 436.26 g/mol. Its IUPAC name is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
PubChem CID22050158
Molecular FormulaC19H16BrF2N3O2
Molecular Weight436.26 g/mol
Exact Mass435.04
IUPAC Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
SMILESCc1cnc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1
InChIInChI=1S/C19H16BrF2N3O2/c1-11-7-24-15(8-23-11)9-25-12(2)5-17(18(20)19(25)26)27-10-13-3-4-14(21)6-16(13)22/h3-8H,9-10H2,1-2H3
InChIKeyQTBNYCDGLYVQPT-UHFFFAOYSA-N
XLogP3.92
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one (CID 22050158) is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one is Cc1cnc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1.
What is the InChIKey of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one?
The InChIKey is QTBNYCDGLYVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF2N3O2/c1-11-7-24-15(8-23-11)9-25-12(2)5-17(18(20)19(25)26)27-10-13-3-4-14(21)6-16(13)22/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one?
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one has a molecular weight of 436.26 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 22050158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).