N-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-yl]acetamide
CAS No.：
Cat. No.: SC251031
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Product Name :N-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-yl]acetamide
Cat. No.: :SC251031
Purity / Specification :—
CAS No. :2479378-45-3
MDL No. :—
Molecular Formula :C25H21N7O2
LogP :3.30
Molecular Weight :451.49
TPSA :102.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CC1=CC=C(O1)C2=NN(C=C2C3N=C(NC4=NC5=CC=CC=C5N34)NC(=O)C)C6=CC=CC=C6
Melting Point :—
InChI Key : :QNWGOBIYAPLFMK-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✓ 451.5 Da
LogP ≤ 5✓ 3.30
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i74/100
Good drug-like profile
Predicted LogP
i3.30log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 102.0Ų · 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.