3-bromo-N-methyl-N-phenylimidazo[1,2-a]pyridine-6-carboxamide
CAS No.：
Cat. No.: SC261799
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Product Name :3-bromo-N-methyl-N-phenylimidazo[1,2-a]pyridine-6-carboxamide
Cat. No.: :SC261799
Purity / Specification :—
CAS No. :—
MDL No. :—
Molecular Formula :C15H12BrN3O
LogP :3.37
Molecular Weight :330.19
TPSA :37.6
Category :Agrochemicals
HSN Code :—
SMILES Code :CN(C(=O)c1ccc2ncc(Br)n2c1)c1ccccc1
Melting Point :—
InChI Key : :WPMWQANCJYPSNZ-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 330.2 Da
LogP ≤ 5✓ 3.37
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i87/100
Excellent drug-like profile
Predicted LogP
i3.37log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 37.6Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.