6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

C24H24BrN5O — CID 57482642

IUPAC6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4c4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C24H24BrN5O/c25-19-14-21-24(27-16-19)29-23(28-21)17-6-8-20(9-7-17)31-13-12-30-11-2-1-5-22(30)18-4-3-10-26-15-18/h3-4,6-10,14-16,22H,1-2,5,11-13H2,(H,27,28,29)
InChIKeyJYWRMIHYGWDRBA-UHFFFAOYSA-N
MW478.39 g/mol
LogP5.39
Rot. Bonds6

About 6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 57482642) has the molecular formula C24H24BrN5O and a molecular weight of 478.39 g/mol. Its IUPAC name is 6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID57482642
Molecular FormulaC24H24BrN5O
Molecular Weight478.39 g/mol
Exact Mass477.12
IUPAC Name6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4c4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C24H24BrN5O/c25-19-14-21-24(27-16-19)29-23(28-21)17-6-8-20(9-7-17)31-13-12-30-11-2-1-5-22(30)18-4-3-10-26-15-18/h3-4,6-10,14-16,22H,1-2,5,11-13H2,(H,27,28,29)
InChIKeyJYWRMIHYGWDRBA-UHFFFAOYSA-N
XLogP5.39
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 55.39
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-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (CID 57482642) is 6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(-c3ccc(OCCN4CCCCC4c4cccnc4)cc3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is JYWRMIHYGWDRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O/c25-19-14-21-24(27-16-19)29-23(28-21)17-6-8-20(9-7-17)31-13-12-30-11-2-1-5-22(30)18-4-3-10-26-15-18/h3-4,6-10,14-16,22H,1-2,5,11-13H2,(H,27,28,29).
What are the key properties of 6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 478.39 g/mol, XLogP of 5.39, 6 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-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 57482642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).