N-[(1S)-1-(dicyclopropylmethyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl) anilino]-2-oxoethyl]-2-isopropyl-pyrazole-3-carboxamide, ≥99.20%
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Cat. No.: SC261774
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Product Name :N-[(1S)-1-(dicyclopropylmethyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl) anilino]-2-oxoethyl]-2-isopropyl-pyrazole-3-carboxamide
Cat. No.: :SC261774
Purity / Specification :≥99.20%
CAS No. :2446803-65-0
MDL No. :MFCD34567813
Molecular Formula :C27H34N6O2
LogP :4.70
Molecular Weight :474.61
TPSA :105.0
Category :Drug Discovery
HSN Code :—
SMILES Code :Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1
Melting Point :—
InChI Key : :CQKVACARDGYEMU-VWLOTQADSA-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✓ 474.6 Da
LogP ≤ 5✓ 4.70
HBD ≤ 5✓ 3
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i49/100
Fragment / low drug-likeness
Predicted LogP
i4.70log units
Lipophilic
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.