3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol

C17H14BrN5O2 — CID 166366746

IUPAC3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
SMILESOc1cccc(OCc2cn(Cc3cn4cc(Br)ccc4n3)nn2)c1
InChIInChI=1S/C17H14BrN5O2/c18-12-4-5-17-19-13(8-22(17)7-12)9-23-10-14(20-21-23)11-25-16-3-1-2-15(24)6-16/h1-8,10,24H,9,11H2
InChIKeyROVJTCJVGCBTTK-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.02
Rot. Bonds5

About 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol

3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol (PubChem CID 166366746) has the molecular formula C17H14BrN5O2 and a molecular weight of 400.24 g/mol. Its IUPAC name is 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol.

Molecular Properties

Compound Name3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
PubChem CID166366746
Molecular FormulaC17H14BrN5O2
Molecular Weight400.24 g/mol
Exact Mass399.03
IUPAC Name3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
SMILESOc1cccc(OCc2cn(Cc3cn4cc(Br)ccc4n3)nn2)c1
InChIInChI=1S/C17H14BrN5O2/c18-12-4-5-17-19-13(8-22(17)7-12)9-23-10-14(20-21-23)11-25-16-3-1-2-15(24)6-16/h1-8,10,24H,9,11H2
InChIKeyROVJTCJVGCBTTK-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

Analyze 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol with MolForge

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Related Compounds

3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166366593
3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol
CID 166366791
3-[[1-(2H-triazol-4-ylmethyl)triazol-4-yl]methoxy]phenol
CID 167992744
3-[[1-[(2-tert-butylpyrimidin-5-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166267088
3-[[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]methoxy]phenol
CID 166366605
3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol
CID 167791251
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-chloroimidazo[1,2-a]pyridine
CID 62393880
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
CID 55066990
6-[[1-[(4-bromophenyl)methyl]triazol-4-yl]methoxy]-2-methyl-3-phenylquinazolin-4-one
CID 155557373
4-[(3-nitrophenoxy)methyl]-1-[(4-nitrophenyl)methyl]triazole
CID 127038779
[3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
CID 167867440

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol?
The IUPAC name of 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol (CID 166366746) is 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol.
What is the SMILES notation for 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol?
The canonical SMILES for 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol is Oc1cccc(OCc2cn(Cc3cn4cc(Br)ccc4n3)nn2)c1.
What is the InChIKey of 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol?
The InChIKey is ROVJTCJVGCBTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2/c18-12-4-5-17-19-13(8-22(17)7-12)9-23-10-14(20-21-23)11-25-16-3-1-2-15(24)6-16/h1-8,10,24H,9,11H2.
What are the key properties of 3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol?
3-[[1-[(6-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-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol is sourced from PubChem (CID 166366746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).