2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid

C19H18F2N2O4 — CID 121447488

IUPAC2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1COc1c(F)cc(-c2cncc(OCC3CC3)n2)cc1F
InChIInChI=1S/C19H18F2N2O4/c20-14-4-11(16-6-22-7-17(23-16)26-8-10-1-2-10)5-15(21)18(14)27-9-12-3-13(12)19(24)25/h4-7,10,12-13H,1-3,8-9H2,(H,24,25)
InChIKeyLAHOFLQAWMDEAX-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.31
Rot. Bonds8

About 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid

2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid (PubChem CID 121447488) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid
PubChem CID121447488
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1COc1c(F)cc(-c2cncc(OCC3CC3)n2)cc1F
InChIInChI=1S/C19H18F2N2O4/c20-14-4-11(16-6-22-7-17(23-16)26-8-10-1-2-10)5-15(21)18(14)27-9-12-3-13(12)19(24)25/h4-7,10,12-13H,1-3,8-9H2,(H,24,25)
InChIKeyLAHOFLQAWMDEAX-UHFFFAOYSA-N
XLogP3.31
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid (CID 121447488) is 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1COc1c(F)cc(-c2cncc(OCC3CC3)n2)cc1F.
What is the InChIKey of 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LAHOFLQAWMDEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c20-14-4-11(16-6-22-7-17(23-16)26-8-10-1-2-10)5-15(21)18(14)27-9-12-3-13(12)19(24)25/h4-7,10,12-13H,1-3,8-9H2,(H,24,25).
What are the key properties of 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid?
2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 376.36 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-(cyclopropylmethoxy)pyrazin-2-yl]-2,6-difluorophenoxy]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 121447488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).