5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine

C20H23FN2O4 — CID 52951982

IUPAC5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2cc3cc(OCCOCCOCC[18F])ccc3o2)cn1
InChIInChI=1S/C20H23FN2O4/c1-22-20-5-2-15(14-23-20)19-13-16-12-17(3-4-18(16)27-19)26-11-10-25-9-8-24-7-6-21/h2-5,12-14H,6-11H2,1H3,(H,22,23)/i21-1
InChIKeyCAJRCNSEYLVKQJ-GJQNQZCXSA-N
MW373.41 g/mol
LogP3.92
Rot. Bonds11

About 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine

5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine (PubChem CID 52951982) has the molecular formula C20H23FN2O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
PubChem CID52951982
Molecular FormulaC20H23FN2O4
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC Name5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2cc3cc(OCCOCCOCC[18F])ccc3o2)cn1
InChIInChI=1S/C20H23FN2O4/c1-22-20-5-2-15(14-23-20)19-13-16-12-17(3-4-18(16)27-19)26-11-10-25-9-8-24-7-6-21/h2-5,12-14H,6-11H2,1H3,(H,22,23)/i21-1
InChIKeyCAJRCNSEYLVKQJ-GJQNQZCXSA-N
XLogP3.92
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
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 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine (CID 52951982) is 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine is CNc1ccc(-c2cc3cc(OCCOCCOCC[18F])ccc3o2)cn1.
What is the InChIKey of 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine?
The InChIKey is CAJRCNSEYLVKQJ-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-22-20-5-2-15(14-23-20)19-13-16-12-17(3-4-18(16)27-19)26-11-10-25-9-8-24-7-6-21/h2-5,12-14H,6-11H2,1H3,(H,22,23)/i21-1.
What are the key properties of 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine?
5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine has a molecular weight of 373.41 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 52951982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).