2-imidazo[1,2-a]pyridin-2-ylethanamine
CAS No.:
Cat. No.: SC25928
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Product Name :2-imidazo[1,2-a]pyridin-2-ylethanamine
Cat. No.: :SC25928
Purity / Specification :—
CAS No. :43170-96-3
MDL No. :MFCD06738922
Molecular Formula :C9H11N3
LogP :1.10
Molecular Weight :161.21
TPSA :43.3
Category :Building Blocks
HSN Code :—
SMILES Code :NCCc1cn2ccccc2n1
Melting Point :—
InChI Key : :CSIVCTHRYRVJCI-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✓ 161.2 Da
LogP ≤ 5✓ 1.10
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i64/100
Moderate — typical building block
Predicted LogP
i1.10log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 43.3Ų · 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.
