2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid

C18H16FN3O3 — CID 70659365

IUPAC2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1
InChIInChI=1S/C18H16FN3O3/c19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24/h4-7,10H,1-3,8-9H2,(H,23,24)
InChIKeyVYPBUQLQMDMQCX-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.72
Rot. Bonds3

About 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid

2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659365) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659365
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1
InChIInChI=1S/C18H16FN3O3/c19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24/h4-7,10H,1-3,8-9H2,(H,23,24)
InChIKeyVYPBUQLQMDMQCX-UHFFFAOYSA-N
XLogP3.72
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid (CID 70659365) is 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCCC3)nc2o1.
What is the InChIKey of 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is VYPBUQLQMDMQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-12-6-4-11(5-7-12)15-16(22-8-2-1-3-9-22)21-17-13(20-15)10-14(25-17)18(23)24/h4-7,10H,1-3,8-9H2,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 341.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-piperidin-1-ylfuro[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).