N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine

CAS No.：

Cat. No.: SC23447

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Product Name :N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine

Cat. No.: :SC23447

Purity / Specification :—

CAS No. :444731-75-3

MDL No. :—

Molecular Formula :C₁₄H₁₄ClN₅

LogP :3.20

Molecular Weight :287.75

TPSA :46.8

Category :Building Blocks

HSN Code :—

SMILES Code :Cc1c2ccc(N(C)c3ccnc(Cl)n3)cc2nn1C

Melting Point :—

InChI Key : :DVGMRZQSSNNTFY-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✓ 287.8 Da

LogP ≤ 5✓ 3.20

HBD ≤ 5✓ 0

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

90/100

Excellent drug-like profile

Predicted LogP

3.20log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 46.8Å² · 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.