N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 440931
• Molecular Formular: C14H18N4O3
• Molecular Mass: 290.31772
• Monoisotopic Mass: 290.13789046
• SMILES: c12c(C(=O)N[C@@H]3[C@H](COC3)OCC)cnn1cc(cn2)C
• Canonical SMILES: CCO[C@H]1COC[C@@H]1NC(=O)c1cnn2c1ncc(c2)C
• InChI: InChI=1S/C14H18N4O3/c1-3-21-12-8-20-7-11(12)17-14(19)10-5-16-18-6-9(2)4-15-13(10)18/h4-6,11-12H,3,7-8H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
• InChIKey: PUTPJIFEPVZBFD-RYUDHWBXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.867832
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4515732
• LogD (pH = 7.4): 0.45157516
• Log P: 0.4515765
• Molar Refractivity: 86.9969 cm^3
• Polarizability: 28.77276 Å^3
• Polar Surface Area: 77.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.52
• LOG S: -1.76
• Polar Surface Area: 77.75 Å^2
• Rotatable Bonds: 4