6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine

C21H17F2N3O — CID 89433701

IUPAC6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCC(c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ncc(F)cc2[nH]1
InChIInChI=1S/C21H17F2N3O/c1-13(20-25-19-10-17(23)11-24-21(19)26-20)15-4-8-18(9-5-15)27-12-14-2-6-16(22)7-3-14/h2-11,13H,12H2,1H3,(H,24,25,26)
InChIKeyOKNRIIBNGACVNQ-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.97
Rot. Bonds5

About 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine

6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 89433701) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID89433701
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCC(c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ncc(F)cc2[nH]1
InChIInChI=1S/C21H17F2N3O/c1-13(20-25-19-10-17(23)11-24-21(19)26-20)15-4-8-18(9-5-15)27-12-14-2-6-16(22)7-3-14/h2-11,13H,12H2,1H3,(H,24,25,26)
InChIKeyOKNRIIBNGACVNQ-UHFFFAOYSA-N
XLogP4.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine (CID 89433701) is 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine is CC(c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ncc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is OKNRIIBNGACVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c1-13(20-25-19-10-17(23)11-24-21(19)26-20)15-4-8-18(9-5-15)27-12-14-2-6-16(22)7-3-14/h2-11,13H,12H2,1H3,(H,24,25,26).
What are the key properties of 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 365.38 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 89433701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).