2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

CAS No.：

Cat. No.: SC23474

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Product Name :2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

Cat. No.: :SC23474

Purity / Specification :—

CAS No. :290297-26-6

MDL No. :—

Molecular Formula :C₃₀H₃₂F₆N₄O

LogP :6.80

Molecular Weight :578.60

TPSA :39.7

Category :API Impurities

HSN Code :—

SMILES Code :Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Melting Point :—

InChI Key : :WAXQNWCZJDTGBU-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

✗ FAIL

MW ≤ 500 Da✗ 578.6 Da

LogP ≤ 5✗ 6.80

HBD ≤ 5✓ 0

HBA ≤ 10✓ 10

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

36/100

Fragment / low drug-likeness

Predicted LogP

6.80log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 39.7Å² · 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.