N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;hydrochloride
CAS No.：
Cat. No.: SC24518
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Product Name :N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;hydrochloride
Cat. No.: :SC24518
Purity / Specification :—
CAS No. :1414976-20-7
MDL No. :—
Molecular Formula :C36H46N8O3
LogP :3.45
Molecular Weight :638.82
TPSA :117.0
Category :API Impurities
HSN Code :—
SMILES Code :Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12
Melting Point :—
InChI Key : :JJVAPHYEOZSKJZ-JGCGQSQUSA-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✗ 638.8 Da
LogP ≤ 5✓ 3.45
HBD ≤ 5✓ 4
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i43/100
Fragment / low drug-likeness
Predicted LogP
i3.45log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 117.0Ų · 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.