N-({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide

• ChemBase ID: 712257
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c12n(nc(c1)CNC(=O)Cc1onc(c1)C)CCN(C2)C1CCCCC1
• Canonical SMILES: O=C(Cc1onc(c1)C)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C19H27N5O2/c1-14-9-18(26-22-14)11-19(25)20-12-15-10-17-13-23(7-8-24(17)21-15)16-5-3-2-4-6-16/h9-10,16H,2-8,11-13H2,1H3,(H,20,25)
• InChIKey: QLIFSOSWPBMYCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
• IUPAC Traditional name: N-({5-cyclohexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
• Synonyms: N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(3-methylisoxazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.534965
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.027148
• LogD (pH = 7.4): 0.6818289
• Log P: 1.1665928
• Molar Refractivity: 110.4547 cm^3
• Polarizability: 37.783882 Å^3
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.27
• LOG S: -3.35
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 5