4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline

C21H26FN3O3 — CID 87627962

IUPAC4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cn3cc(OCCOCCOCCF)ccc3n2)cc1
InChIInChI=1S/C21H26FN3O3/c1-24(2)18-5-3-17(4-6-18)20-16-25-15-19(7-8-21(25)23-20)28-14-13-27-12-11-26-10-9-22/h3-8,15-16H,9-14H2,1-2H3
InChIKeyMSRNKXNMTTWCRH-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.45
Rot. Bonds11

About 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline

4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline (PubChem CID 87627962) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline
PubChem CID87627962
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cn3cc(OCCOCCOCCF)ccc3n2)cc1
InChIInChI=1S/C21H26FN3O3/c1-24(2)18-5-3-17(4-6-18)20-16-25-15-19(7-8-21(25)23-20)28-14-13-27-12-11-26-10-9-22/h3-8,15-16H,9-14H2,1-2H3
InChIKeyMSRNKXNMTTWCRH-UHFFFAOYSA-N
XLogP3.45
TPSA48.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline (CID 87627962) is 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cn3cc(OCCOCCOCCF)ccc3n2)cc1.
What is the InChIKey of 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline?
The InChIKey is MSRNKXNMTTWCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-24(2)18-5-3-17(4-6-18)20-16-25-15-19(7-8-21(25)23-20)28-14-13-27-12-11-26-10-9-22/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline?
4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline has a molecular weight of 387.46 g/mol, XLogP of 3.45, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 87627962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).