3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine

C23H20FN3O — CID 171471585

IUPAC3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
SMILESFc1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1
InChIInChI=1S/C23H20FN3O/c24-19-5-1-17(2-6-19)21-15-28-22-13-18(14-26-23(21)22)16-3-7-20(8-4-16)27-11-9-25-10-12-27/h1-8,13-15,25H,9-12H2
InChIKeyCJYPLQDLOHHSGA-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.71
Rot. Bonds3

About 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine

3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine (PubChem CID 171471585) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
PubChem CID171471585
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
SMILESFc1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1
InChIInChI=1S/C23H20FN3O/c24-19-5-1-17(2-6-19)21-15-28-22-13-18(14-26-23(21)22)16-3-7-20(8-4-16)27-11-9-25-10-12-27/h1-8,13-15,25H,9-12H2
InChIKeyCJYPLQDLOHHSGA-UHFFFAOYSA-N
XLogP4.71
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine (CID 171471585) is 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine is Fc1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The InChIKey is CJYPLQDLOHHSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-19-5-1-17(2-6-19)21-15-28-22-13-18(14-26-23(21)22)16-3-7-20(8-4-16)27-11-9-25-10-12-27/h1-8,13-15,25H,9-12H2.
What are the key properties of 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine has a molecular weight of 373.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 171471585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).