2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol

C13H16BrN3O2 — CID 178046918

IUPAC2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol
SMILESCc1nc2ncc(Br)cc2n1C1CC(OCCO)C1
InChIInChI=1S/C13H16BrN3O2/c1-8-16-13-12(4-9(14)7-15-13)17(8)10-5-11(6-10)19-3-2-18/h4,7,10-11,18H,2-3,5-6H2,1H3
InChIKeyYLCYOWKJMZSDKA-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.21
Rot. Bonds4

About 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol

2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol (PubChem CID 178046918) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol.

Molecular Properties

Compound Name2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol
PubChem CID178046918
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol
SMILESCc1nc2ncc(Br)cc2n1C1CC(OCCO)C1
InChIInChI=1S/C13H16BrN3O2/c1-8-16-13-12(4-9(14)7-15-13)17(8)10-5-11(6-10)19-3-2-18/h4,7,10-11,18H,2-3,5-6H2,1H3
InChIKeyYLCYOWKJMZSDKA-UHFFFAOYSA-N
XLogP2.21
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol
CID 178046803
3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid
CID 178046893
7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine
CID 178046894
2-[(9-bromo-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-yl)oxy]ethanol
CID 129248710
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 178046830
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
3-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)-1-methylcyclobutan-1-ol
CID 169030799
2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol
CID 82685023
cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate
CID 154645899
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714
8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 129275418

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol?
The IUPAC name of 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol (CID 178046918) is 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol.
What is the SMILES notation for 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol?
The canonical SMILES for 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol is Cc1nc2ncc(Br)cc2n1C1CC(OCCO)C1.
What is the InChIKey of 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol?
The InChIKey is YLCYOWKJMZSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-8-16-13-12(4-9(14)7-15-13)17(8)10-5-11(6-10)19-3-2-18/h4,7,10-11,18H,2-3,5-6H2,1H3.
What are the key properties of 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol?
2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol has a molecular weight of 326.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol is sourced from PubChem (CID 178046918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).