5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid

C20H18FN3O4 — CID 90310614

IUPAC5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(=O)O)o3)c2F)cn1
InChIInChI=1S/C20H18FN3O4/c21-18-14(15-8-24-17(22)9-23-15)6-5-13(11-2-1-3-11)19(18)27-10-12-4-7-16(28-12)20(25)26/h4-9,11H,1-3,10H2,(H2,22,24)(H,25,26)
InChIKeyGONXLTRIUUVUQF-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.00
Rot. Bonds6

About 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid

5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid (PubChem CID 90310614) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid
PubChem CID90310614
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(=O)O)o3)c2F)cn1
InChIInChI=1S/C20H18FN3O4/c21-18-14(15-8-24-17(22)9-23-15)6-5-13(11-2-1-3-11)19(18)27-10-12-4-7-16(28-12)20(25)26/h4-9,11H,1-3,10H2,(H2,22,24)(H,25,26)
InChIKeyGONXLTRIUUVUQF-UHFFFAOYSA-N
XLogP4.00
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid (CID 90310614) is 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid is Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(=O)O)o3)c2F)cn1.
What is the InChIKey of 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is GONXLTRIUUVUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c21-18-14(15-8-24-17(22)9-23-15)6-5-13(11-2-1-3-11)19(18)27-10-12-4-7-16(28-12)20(25)26/h4-9,11H,1-3,10H2,(H2,22,24)(H,25,26).
What are the key properties of 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid?
5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 383.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 90310614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).