6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine

C19H21BrN4O2 — CID 70695758

IUPAC6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(OCC4CCNCC4)c3[nH]2)cc1
InChIInChI=1S/C19H21BrN4O2/c1-25-14-4-2-13(3-5-14)18-23-16-17(15(20)10-22-19(16)24-18)26-11-12-6-8-21-9-7-12/h2-5,10,12,21H,6-9,11H2,1H3,(H,22,23,24)
InChIKeyXVLUNMSWJVTNRP-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.77
Rot. Bonds5

About 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine (PubChem CID 70695758) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine
PubChem CID70695758
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC Name6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(OCC4CCNCC4)c3[nH]2)cc1
InChIInChI=1S/C19H21BrN4O2/c1-25-14-4-2-13(3-5-14)18-23-16-17(15(20)10-22-19(16)24-18)26-11-12-6-8-21-9-7-12/h2-5,10,12,21H,6-9,11H2,1H3,(H,22,23,24)
InChIKeyXVLUNMSWJVTNRP-UHFFFAOYSA-N
XLogP3.77
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine (CID 70695758) is 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(Br)c(OCC4CCNCC4)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine?
The InChIKey is XVLUNMSWJVTNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c1-25-14-4-2-13(3-5-14)18-23-16-17(15(20)10-22-19(16)24-18)26-11-12-6-8-21-9-7-12/h2-5,10,12,21H,6-9,11H2,1H3,(H,22,23,24).
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine has a molecular weight of 417.31 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 70695758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).