1H-imidazo[4,5-b]pyridin-5-ylmethanamine
CAS No.：
Cat. No.: SC251521
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Product Name :1H-imidazo[4,5-b]pyridin-5-ylmethanamine
Cat. No.: :SC251521
Purity / Specification :—
CAS No. :1337953-05-5
MDL No. :—
Molecular Formula :C7H8N4
LogP :0.42
Molecular Weight :148.17
TPSA :67.6
Category :CRO / Contract Research
HSN Code :—
SMILES Code :NCc1ccc2nc[nH]c2n1
Melting Point :—
InChI Key : :PXOZVFJWVWBESY-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✓ 148.2 Da
LogP ≤ 5✓ 0.42
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i0.42log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 67.6Ų · 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.