6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine

C22H19ClFN3O2 — CID 54673118

IUPAC6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCCOC(c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C22H19ClFN3O2/c1-2-28-20(22-26-19-11-16(23)12-25-21(19)27-22)15-5-9-18(10-6-15)29-13-14-3-7-17(24)8-4-14/h3-12,20H,2,13H2,1H3,(H,25,26,27)
InChIKeyFZZUKNKYZKODPZ-UHFFFAOYSA-N
MW411.86 g/mol
LogP5.46
Rot. Bonds7

About 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine

6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 54673118) has the molecular formula C22H19ClFN3O2 and a molecular weight of 411.86 g/mol. Its IUPAC name is 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID54673118
Molecular FormulaC22H19ClFN3O2
Molecular Weight411.86 g/mol
Exact Mass411.11
IUPAC Name6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCCOC(c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C22H19ClFN3O2/c1-2-28-20(22-26-19-11-16(23)12-25-21(19)27-22)15-5-9-18(10-6-15)29-13-14-3-7-17(24)8-4-14/h3-12,20H,2,13H2,1H3,(H,25,26,27)
InChIKeyFZZUKNKYZKODPZ-UHFFFAOYSA-N
XLogP5.46
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine (CID 54673118) is 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine is CCOC(c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ncc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is FZZUKNKYZKODPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2/c1-2-28-20(22-26-19-11-16(23)12-25-21(19)27-22)15-5-9-18(10-6-15)29-13-14-3-7-17(24)8-4-14/h3-12,20H,2,13H2,1H3,(H,25,26,27).
What are the key properties of 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 411.86 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 54673118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).