6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

C26H27BrN4O2 — CID 69215492

IUPAC6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccccc1C1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1
InChIInChI=1S/C26H27BrN4O2/c1-32-24-5-3-2-4-22(24)18-10-12-31(13-11-18)14-15-33-21-8-6-19(7-9-21)25-29-23-16-20(27)17-28-26(23)30-25/h2-9,16-18H,10-15H2,1H3,(H,28,29,30)
InChIKeyMSOKHNSGMCLUKD-UHFFFAOYSA-N
MW507.43 g/mol
LogP5.65
Rot. Bonds7

About 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 69215492) has the molecular formula C26H27BrN4O2 and a molecular weight of 507.43 g/mol. Its IUPAC name is 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID69215492
Molecular FormulaC26H27BrN4O2
Molecular Weight507.43 g/mol
Exact Mass506.13
IUPAC Name6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccccc1C1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1
InChIInChI=1S/C26H27BrN4O2/c1-32-24-5-3-2-4-22(24)18-10-12-31(13-11-18)14-15-33-21-8-6-19(7-9-21)25-29-23-16-20(27)17-28-26(23)30-25/h2-9,16-18H,10-15H2,1H3,(H,28,29,30)
InChIKeyMSOKHNSGMCLUKD-UHFFFAOYSA-N
XLogP5.65
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.43
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (CID 69215492) is 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is COc1ccccc1C1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.
What is the InChIKey of 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is MSOKHNSGMCLUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN4O2/c1-32-24-5-3-2-4-22(24)18-10-12-31(13-11-18)14-15-33-21-8-6-19(7-9-21)25-29-23-16-20(27)17-28-26(23)30-25/h2-9,16-18H,10-15H2,1H3,(H,28,29,30).
What are the key properties of 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 507.43 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 69215492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).