2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine

C22H20FN3O — CID 68894960

IUPAC2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine
SMILESCCC(C)Oc1cccc(-c2nc3ncc(-c4ccccc4F)cc3[nH]2)c1
InChIInChI=1S/C22H20FN3O/c1-3-14(2)27-17-8-6-7-15(11-17)21-25-20-12-16(13-24-22(20)26-21)18-9-4-5-10-19(18)23/h4-14H,3H2,1-2H3,(H,24,25,26)
InChIKeyKEUZINJOYGVFKG-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.61
Rot. Bonds5

About 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine

2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 68894960) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID68894960
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine
SMILESCCC(C)Oc1cccc(-c2nc3ncc(-c4ccccc4F)cc3[nH]2)c1
InChIInChI=1S/C22H20FN3O/c1-3-14(2)27-17-8-6-7-15(11-17)21-25-20-12-16(13-24-22(20)26-21)18-9-4-5-10-19(18)23/h4-14H,3H2,1-2H3,(H,24,25,26)
InChIKeyKEUZINJOYGVFKG-UHFFFAOYSA-N
XLogP5.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine (CID 68894960) is 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine is CCC(C)Oc1cccc(-c2nc3ncc(-c4ccccc4F)cc3[nH]2)c1.
What is the InChIKey of 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is KEUZINJOYGVFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-3-14(2)27-17-8-6-7-15(11-17)21-25-20-12-16(13-24-22(20)26-21)18-9-4-5-10-19(18)23/h4-14H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine?
2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 361.42 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 68894960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).