3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine

C25H15FN2 — CID 53469685

IUPAC3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine
SMILESFc1ccc(-c2nc(C#Cc3cccc4ccccc34)c3ccccn23)cc1
InChIInChI=1S/C25H15FN2/c26-21-14-11-20(12-15-21)25-27-23(24-10-3-4-17-28(24)25)16-13-19-8-5-7-18-6-1-2-9-22(18)19/h1-12,14-15,17H
InChIKeyFFOIEWVKTANFCT-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.69
Rot. Bonds1

About 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine

3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine (PubChem CID 53469685) has the molecular formula C25H15FN2 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine
PubChem CID53469685
Molecular FormulaC25H15FN2
Molecular Weight362.41 g/mol
Exact Mass362.12
IUPAC Name3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine
SMILESFc1ccc(-c2nc(C#Cc3cccc4ccccc34)c3ccccn23)cc1
InChIInChI=1S/C25H15FN2/c26-21-14-11-20(12-15-21)25-27-23(24-10-3-4-17-28(24)25)16-13-19-8-5-7-18-6-1-2-9-22(18)19/h1-12,14-15,17H
InChIKeyFFOIEWVKTANFCT-UHFFFAOYSA-N
XLogP5.69
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine (CID 53469685) is 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine is Fc1ccc(-c2nc(C#Cc3cccc4ccccc34)c3ccccn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine?
The InChIKey is FFOIEWVKTANFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN2/c26-21-14-11-20(12-15-21)25-27-23(24-10-3-4-17-28(24)25)16-13-19-8-5-7-18-6-1-2-9-22(18)19/h1-12,14-15,17H.
What are the key properties of 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine?
3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine has a molecular weight of 362.41 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 53469685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).