3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol

C17H14BrN5O2 — CID 166366593

IUPAC3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
SMILESOc1cccc(OCc2cn(Cc3cn4cccc(Br)c4n3)nn2)c1
InChIInChI=1S/C17H14BrN5O2/c18-16-5-2-6-22-8-12(19-17(16)22)9-23-10-13(20-21-23)11-25-15-4-1-3-14(24)7-15/h1-8,10,24H,9,11H2
InChIKeyCBIDIXIWUMBRDT-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.02
Rot. Bonds5

About 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol

3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol (PubChem CID 166366593) has the molecular formula C17H14BrN5O2 and a molecular weight of 400.24 g/mol. Its IUPAC name is 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol.

Molecular Properties

Compound Name3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
PubChem CID166366593
Molecular FormulaC17H14BrN5O2
Molecular Weight400.24 g/mol
Exact Mass399.03
IUPAC Name3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
SMILESOc1cccc(OCc2cn(Cc3cn4cccc(Br)c4n3)nn2)c1
InChIInChI=1S/C17H14BrN5O2/c18-16-5-2-6-22-8-12(19-17(16)22)9-23-10-13(20-21-23)11-25-15-4-1-3-14(24)7-15/h1-8,10,24H,9,11H2
InChIKeyCBIDIXIWUMBRDT-UHFFFAOYSA-N
XLogP3.02
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol?
The IUPAC name of 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol (CID 166366593) is 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol.
What is the SMILES notation for 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol?
The canonical SMILES for 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol is Oc1cccc(OCc2cn(Cc3cn4cccc(Br)c4n3)nn2)c1.
What is the InChIKey of 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol?
The InChIKey is CBIDIXIWUMBRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2/c18-16-5-2-6-22-8-12(19-17(16)22)9-23-10-13(20-21-23)11-25-15-4-1-3-14(24)7-15/h1-8,10,24H,9,11H2.
What are the key properties of 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol?
3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol has a molecular weight of 400.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol is sourced from PubChem (CID 166366593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).