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

• ChemBase ID: 671332
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n12c(cc(n1)CNC(=O)C)CN(Cc1cc3c(cc(cc3)OC)cc1)CC2
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)CN1CCn2c(C1)cc(n2)CNC(=O)C
• InChI: InChI=1S/C21H24N4O2/c1-15(26)22-12-19-11-20-14-24(7-8-25(20)23-19)13-16-3-4-18-10-21(27-2)6-5-17(18)9-16/h3-6,9-11H,7-8,12-14H2,1-2H3,(H,22,26)
• InChIKey: VIGZSKPBVRMWHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.369208
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14211333
• LogD (pH = 7.4): 1.521211
• Log P: 1.6733444
• Molar Refractivity: 116.3336 cm^3
• Polarizability: 41.565594 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.88
• LOG S: -2.61
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5