2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

C17H12FN3OS — CID 155540446

IUPAC2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(OCc2nc3ncc(-c4cccs4)cc3[nH]2)cc1
InChIInChI=1S/C17H12FN3OS/c18-12-3-5-13(6-4-12)22-10-16-20-14-8-11(9-19-17(14)21-16)15-2-1-7-23-15/h1-9H,10H2,(H,19,20,21)
InChIKeyMGNMDAZJXAFCPJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.40
Rot. Bonds4

About 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 155540446) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID155540446
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(OCc2nc3ncc(-c4cccs4)cc3[nH]2)cc1
InChIInChI=1S/C17H12FN3OS/c18-12-3-5-13(6-4-12)22-10-16-20-14-8-11(9-19-17(14)21-16)15-2-1-7-23-15/h1-9H,10H2,(H,19,20,21)
InChIKeyMGNMDAZJXAFCPJ-UHFFFAOYSA-N
XLogP4.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (CID 155540446) is 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is Fc1ccc(OCc2nc3ncc(-c4cccs4)cc3[nH]2)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is MGNMDAZJXAFCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-12-3-5-13(6-4-12)22-10-16-20-14-8-11(9-19-17(14)21-16)15-2-1-7-23-15/h1-9H,10H2,(H,19,20,21).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 325.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 155540446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).