2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine

C13H14ClN5 — CID 81135677

IUPAC2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(CCn3cccn3)c2n1
InChIInChI=1S/C13H14ClN5/c1-10-3-4-11-13(16-10)19(12(9-14)17-11)8-7-18-6-2-5-15-18/h2-6H,7-9H2,1H3
InChIKeyPDQPEVDVJIRMRT-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.38
Rot. Bonds4

About 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 81135677) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine
PubChem CID81135677
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(CCn3cccn3)c2n1
InChIInChI=1S/C13H14ClN5/c1-10-3-4-11-13(16-10)19(12(9-14)17-11)8-7-18-6-2-5-15-18/h2-6H,7-9H2,1H3
InChIKeyPDQPEVDVJIRMRT-UHFFFAOYSA-N
XLogP2.38
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.38
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 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine (CID 81135677) is 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine is Cc1ccc2nc(CCl)n(CCn3cccn3)c2n1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is PDQPEVDVJIRMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-10-3-4-11-13(16-10)19(12(9-14)17-11)8-7-18-6-2-5-15-18/h2-6H,7-9H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 275.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 81135677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).