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

C18H15BrF2N4O2 — CID 21035296

IUPAC1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(N)cn1
InChIInChI=1S/C18H15BrF2N4O2/c1-10-4-15(27-9-11-2-3-12(20)5-14(11)21)17(19)18(26)25(10)8-13-6-24-16(22)7-23-13/h2-7H,8-9H2,1H3,(H2,22,24)
InChIKeyBAERWIOWGSEJFL-UHFFFAOYSA-N
MW437.24 g/mol
LogP3.20
Rot. Bonds5

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

1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 21035296) has the molecular formula C18H15BrF2N4O2 and a molecular weight of 437.24 g/mol. Its IUPAC name is 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID21035296
Molecular FormulaC18H15BrF2N4O2
Molecular Weight437.24 g/mol
Exact Mass436.03
IUPAC Name1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(N)cn1
InChIInChI=1S/C18H15BrF2N4O2/c1-10-4-15(27-9-11-2-3-12(20)5-14(11)21)17(19)18(26)25(10)8-13-6-24-16(22)7-23-13/h2-7H,8-9H2,1H3,(H2,22,24)
InChIKeyBAERWIOWGSEJFL-UHFFFAOYSA-N
XLogP3.20
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 21035296) is 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(N)cn1.
What is the InChIKey of 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is BAERWIOWGSEJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N4O2/c1-10-4-15(27-9-11-2-3-12(20)5-14(11)21)17(19)18(26)25(10)8-13-6-24-16(22)7-23-13/h2-7H,8-9H2,1H3,(H2,22,24).
What are the key properties of 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 437.24 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 21035296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).