3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CAS No.：
Cat. No.: SC251125
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Product Name :3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
Cat. No.: :SC251125
Purity / Specification :—
CAS No. :1035555-63-5
MDL No. :1035555-63-5
Molecular Formula :C17H15F2IN4O4
LogP :0.90
Molecular Weight :504.23
TPSA :105.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)C[C@H](CO)O
Melting Point :—
InChI Key : :RCLQNICOARASSR-SECBINFHSA-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✗ 504.2 Da
LogP ≤ 5✓ 0.90
HBD ≤ 5✓ 3
HBA ≤ 10✓ 8
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i57/100
Moderate — typical building block
Predicted LogP
i0.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 105.0Ų · 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.