3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine

C19H16FN3 — CID 71473013

IUPAC3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine
SMILESFc1cccc(C#Cc2nc3cccnc3n2C2CCCC2)c1
InChIInChI=1S/C19H16FN3/c20-15-6-3-5-14(13-15)10-11-18-22-17-9-4-12-21-19(17)23(18)16-7-1-2-8-16/h3-6,9,12-13,16H,1-2,7-8H2
InChIKeySRIDFZJAOSPNQK-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.09
Rot. Bonds1

About 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine

3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine (PubChem CID 71473013) has the molecular formula C19H16FN3 and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine
PubChem CID71473013
Molecular FormulaC19H16FN3
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine
SMILESFc1cccc(C#Cc2nc3cccnc3n2C2CCCC2)c1
InChIInChI=1S/C19H16FN3/c20-15-6-3-5-14(13-15)10-11-18-22-17-9-4-12-21-19(17)23(18)16-7-1-2-8-16/h3-6,9,12-13,16H,1-2,7-8H2
InChIKeySRIDFZJAOSPNQK-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine (CID 71473013) is 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine is Fc1cccc(C#Cc2nc3cccnc3n2C2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine?
The InChIKey is SRIDFZJAOSPNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3/c20-15-6-3-5-14(13-15)10-11-18-22-17-9-4-12-21-19(17)23(18)16-7-1-2-8-16/h3-6,9,12-13,16H,1-2,7-8H2.
What are the key properties of 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine?
3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine has a molecular weight of 305.36 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 71473013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).