1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride

CAS No.：

Cat. No.: SC251572

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Product Name :1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride

Cat. No.: :SC251572

Purity / Specification :—

CAS No. :256499-19-1

MDL No. :—

Molecular Formula :C₁₄H₁₃ClFN₅

LogP :2.32

Molecular Weight :305.74

TPSA :80.6

Category :API Impurities

HSN Code :—

SMILES Code :C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C(=N)N)F.Cl

Melting Point :—

InChI Key : :DQASIYVADJWVLY-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✓ 305.7 Da

LogP ≤ 5✓ 2.32

HBD ≤ 5✓ 3

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

91/100

Excellent drug-like profile

Predicted LogP

2.32log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 80.6Å² · 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.