6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one

C19H17F2N3O3 — CID 112500029

IUPAC6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C19H17F2N3O3/c1-11-9-13(26-18-15(27-19(20)21)5-4-8-22-18)6-7-14(11)17-12(2)23-10-16(25)24(17)3/h4-10,19H,1-3H3
InChIKeyIVYPKTLOXADZFD-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.85
Rot. Bonds5

About 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one

6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (PubChem CID 112500029) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.

Molecular Properties

Compound Name6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
PubChem CID112500029
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C19H17F2N3O3/c1-11-9-13(26-18-15(27-19(20)21)5-4-8-22-18)6-7-14(11)17-12(2)23-10-16(25)24(17)3/h4-10,19H,1-3H3
InChIKeyIVYPKTLOXADZFD-UHFFFAOYSA-N
XLogP3.85
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The IUPAC name of 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (CID 112500029) is 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.
What is the SMILES notation for 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The canonical SMILES for 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)ncc(=O)n1C.
What is the InChIKey of 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The InChIKey is IVYPKTLOXADZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-11-9-13(26-18-15(27-19(20)21)5-4-8-22-18)6-7-14(11)17-12(2)23-10-16(25)24(17)3/h4-10,19H,1-3H3.
What are the key properties of 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one has a molecular weight of 373.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is sourced from PubChem (CID 112500029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).