5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid

C20H22F2N2O3 — CID 121447421

IUPAC5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid
SMILESCC(CCCC(=O)O)c1c(F)cc(-c2cncc(OC3CCC3)n2)cc1F
InChIInChI=1S/C20H22F2N2O3/c1-12(4-2-7-19(25)26)20-15(21)8-13(9-16(20)22)17-10-23-11-18(24-17)27-14-5-3-6-14/h8-12,14H,2-7H2,1H3,(H,25,26)
InChIKeyNZZMSPNYIVLMTB-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.71
Rot. Bonds8

About 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid

5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid (PubChem CID 121447421) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid.

Molecular Properties

Compound Name5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid
PubChem CID121447421
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid
SMILESCC(CCCC(=O)O)c1c(F)cc(-c2cncc(OC3CCC3)n2)cc1F
InChIInChI=1S/C20H22F2N2O3/c1-12(4-2-7-19(25)26)20-15(21)8-13(9-16(20)22)17-10-23-11-18(24-17)27-14-5-3-6-14/h8-12,14H,2-7H2,1H3,(H,25,26)
InChIKeyNZZMSPNYIVLMTB-UHFFFAOYSA-N
XLogP4.71
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid?
The IUPAC name of 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid (CID 121447421) is 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid.
What is the SMILES notation for 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid?
The canonical SMILES for 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid is CC(CCCC(=O)O)c1c(F)cc(-c2cncc(OC3CCC3)n2)cc1F.
What is the InChIKey of 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid?
The InChIKey is NZZMSPNYIVLMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-12(4-2-7-19(25)26)20-15(21)8-13(9-16(20)22)17-10-23-11-18(24-17)27-14-5-3-6-14/h8-12,14H,2-7H2,1H3,(H,25,26).
What are the key properties of 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid?
5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid has a molecular weight of 376.40 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]hexanoic acid is sourced from PubChem (CID 121447421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).