N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-fluorophenyl)methanesulfonamide

CAS No.：

Cat. No.: SC251094

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Product Name :N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-fluorophenyl)methanesulfonamide

Cat. No.: :SC251094

Purity / Specification :—

CAS No. :1797382-33-2

MDL No. :—

Molecular Formula :C₁₃H₁₁FN₄O₂S

LogP :1.81

Molecular Weight :306.31

TPSA :76.4

Category :CRO / Contract Research

HSN Code :—

SMILES Code :O=S(=O)(Cc1ccccc1F)Nc1ccc2nncn2c1

Melting Point :—

InChI Key : :CZTVHKLALOZBML-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 306.3 Da

LogP ≤ 5✓ 1.81

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

95/100

Excellent drug-like profile

Predicted LogP

1.81log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 76.4Å² · 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.