1H-pyrrolo[3,2-b]pyridin-5-ylmethanamine
CAS No.：
Cat. No.: SC251522
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Product Name :1H-pyrrolo[3,2-b]pyridin-5-ylmethanamine
Cat. No.: :SC251522
Purity / Specification :—
CAS No. :267876-26-6
MDL No. :—
Molecular Formula :C8H9N3
LogP :1.02
Molecular Weight :147.18
TPSA :54.7
Category :CRO / Contract Research
HSN Code :—
SMILES Code :NCc1ccc2[nH]ccc2n1
Melting Point :—
InChI Key : :FTMDDRRFHNBYFI-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✓ 147.2 Da
LogP ≤ 5✓ 1.02
HBD ≤ 5✓ 2
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i63/100
Moderate — typical building block
Predicted LogP
i1.02log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 54.7Ų · 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.