Methyl 1H-imidazo[4,5-c]pyridine-4-carboxylate
CAS No.：
Cat. No.: SC24650
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Product Name :Methyl 1H-imidazo[4,5-c]pyridine-4-carboxylate
Cat. No.: :SC24650
Purity / Specification :—
CAS No. :1234616-18-2
MDL No. :MFCD1701595
Molecular Formula :C8H7N3O2
LogP :0.60
Molecular Weight :177.16
TPSA :67.9
Category :Building Blocks
HSN Code :—
SMILES Code :COC(=O)c1nccc2[nH]cnc12
Melting Point :—
InChI Key : :AEVKUBOBFVAQDL-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✓ 177.2 Da
LogP ≤ 5✓ 0.60
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i0.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 67.9Ų · 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.