6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid

C18H14F2N4O2 — CID 59645974

IUPAC6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid
SMILESCC(C)(c1cncc(C(=O)O)n1)c1cncc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C18H14F2N4O2/c1-18(2,16-9-22-7-14(24-16)17(25)26)15-8-21-6-13(23-15)11-4-3-10(19)5-12(11)20/h3-9H,1-2H3,(H,25,26)
InChIKeyNYDCENZASVVJLO-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.24
Rot. Bonds4

About 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid

6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid (PubChem CID 59645974) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid
PubChem CID59645974
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid
SMILESCC(C)(c1cncc(C(=O)O)n1)c1cncc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C18H14F2N4O2/c1-18(2,16-9-22-7-14(24-16)17(25)26)15-8-21-6-13(23-15)11-4-3-10(19)5-12(11)20/h3-9H,1-2H3,(H,25,26)
InChIKeyNYDCENZASVVJLO-UHFFFAOYSA-N
XLogP3.24
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid (CID 59645974) is 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid is CC(C)(c1cncc(C(=O)O)n1)c1cncc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid?
The InChIKey is NYDCENZASVVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-18(2,16-9-22-7-14(24-16)17(25)26)15-8-21-6-13(23-15)11-4-3-10(19)5-12(11)20/h3-9H,1-2H3,(H,25,26).
What are the key properties of 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid?
6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid has a molecular weight of 356.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(2,4-difluorophenyl)pyrazin-2-yl]propan-2-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 59645974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).