6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine

C13H17BrN4 — CID 178046830

IUPAC6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(Br)cc2n1C[C@@H]1CCCNC1
InChIInChI=1S/C13H17BrN4/c1-9-17-13-12(5-11(14)7-16-13)18(9)8-10-3-2-4-15-6-10/h5,7,10,15H,2-4,6,8H2,1H3/t10-/m1/s1
InChIKeyBWVGPOWQXXLFOK-SNVBAGLBSA-N
MW309.21 g/mol
LogP2.50
Rot. Bonds2

About 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine

6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 178046830) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID178046830
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(Br)cc2n1C[C@@H]1CCCNC1
InChIInChI=1S/C13H17BrN4/c1-9-17-13-12(5-11(14)7-16-13)18(9)8-10-3-2-4-15-6-10/h5,7,10,15H,2-4,6,8H2,1H3/t10-/m1/s1
InChIKeyBWVGPOWQXXLFOK-SNVBAGLBSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol
CID 178046803
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223883
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 79367324
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149774
4-[5-methyl-1-(piperidin-3-ylmethyl)imidazol-2-yl]pyridine
CID 90488017
6-methyl-2-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 79796036
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 82151112
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine (CID 178046830) is 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine is Cc1nc2ncc(Br)cc2n1C[C@@H]1CCCNC1.
What is the InChIKey of 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is BWVGPOWQXXLFOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-9-17-13-12(5-11(14)7-16-13)18(9)8-10-3-2-4-15-6-10/h5,7,10,15H,2-4,6,8H2,1H3/t10-/m1/s1.
What are the key properties of 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 309.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 178046830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).