6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine

C13H13BrClN5 — CID 79302606

IUPAC6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(Cn1cccn1)n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C13H13BrClN5/c1-9(8-19-4-2-3-17-19)20-12(6-15)18-11-5-10(14)7-16-13(11)20/h2-5,7,9H,6,8H2,1H3
InChIKeyKCDAMZITHHDZSO-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.39
Rot. Bonds4

About 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79302606) has the molecular formula C13H13BrClN5 and a molecular weight of 354.64 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79302606
Molecular FormulaC13H13BrClN5
Molecular Weight354.64 g/mol
Exact Mass353.00
IUPAC Name6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(Cn1cccn1)n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C13H13BrClN5/c1-9(8-19-4-2-3-17-19)20-12(6-15)18-11-5-10(14)7-16-13(11)20/h2-5,7,9H,6,8H2,1H3
InChIKeyKCDAMZITHHDZSO-UHFFFAOYSA-N
XLogP3.39
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine (CID 79302606) is 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine is CC(Cn1cccn1)n1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is KCDAMZITHHDZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN5/c1-9(8-19-4-2-3-17-19)20-12(6-15)18-11-5-10(14)7-16-13(11)20/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 354.64 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).