6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine

C25H21BrFN5O — CID 70957001

IUPAC6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccccc1CCc1cc(OCCn2ccnc2)cc(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C25H21BrFN5O/c26-20-14-23-25(29-15-20)31-24(30-23)19-11-17(5-6-18-3-1-2-4-22(18)27)12-21(13-19)33-10-9-32-8-7-28-16-32/h1-4,7-8,11-16H,5-6,9-10H2,(H,29,30,31)
InChIKeyCGEXZCFIIOZVFW-UHFFFAOYSA-N
MW506.38 g/mol
LogP5.59
Rot. Bonds8

About 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 70957001) has the molecular formula C25H21BrFN5O and a molecular weight of 506.38 g/mol. Its IUPAC name is 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID70957001
Molecular FormulaC25H21BrFN5O
Molecular Weight506.38 g/mol
Exact Mass505.09
IUPAC Name6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccccc1CCc1cc(OCCn2ccnc2)cc(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C25H21BrFN5O/c26-20-14-23-25(29-15-20)31-24(30-23)19-11-17(5-6-18-3-1-2-4-22(18)27)12-21(13-19)33-10-9-32-8-7-28-16-32/h1-4,7-8,11-16H,5-6,9-10H2,(H,29,30,31)
InChIKeyCGEXZCFIIOZVFW-UHFFFAOYSA-N
XLogP5.59
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.38
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-fluoro-3-[6-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76310659
N-[4-fluoro-3-[6-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76321574
CID 9549096
CID 9549096
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine (CID 70957001) is 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine is Fc1ccccc1CCc1cc(OCCn2ccnc2)cc(-c2nc3ncc(Br)cc3[nH]2)c1.
What is the InChIKey of 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is CGEXZCFIIOZVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrFN5O/c26-20-14-23-25(29-15-20)31-24(30-23)19-11-17(5-6-18-3-1-2-4-22(18)27)12-21(13-19)33-10-9-32-8-7-28-16-32/h1-4,7-8,11-16H,5-6,9-10H2,(H,29,30,31).
What are the key properties of 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 506.38 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3-[2-(2-fluorophenyl)ethyl]-5-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 70957001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).