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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Related Compounds

6-(2-fluorophenyl)-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025950
6-(furan-2-yl)-2-(3-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026076
[4-[6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-phenylmethanone
CID 23025894
6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026040
2-(2-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79015323
2-(3-chlorophenyl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
CID 23025637
2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
CID 67489996
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 69377270
2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
[4-[6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclohepta-1,3,6-trien-1-yl]-phenylmethanone
CID 142246981
2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65483074

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).