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

• ChemBase ID: 540477
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n12c(cc(n1)CNC(=O)C)CN(Cc1c3c(ccc1OC)cccc3)CC2
• Canonical SMILES: COc1ccc2c(c1CN1CCn3c(C1)cc(n3)CNC(=O)C)cccc2
• InChI: InChI=1S/C21H24N4O2/c1-15(26)22-12-17-11-18-13-24(9-10-25(18)23-17)14-20-19-6-4-3-5-16(19)7-8-21(20)27-2/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,26)
• InChIKey: UHIDANJKFPQFCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.115862
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5922828
• LogD (pH = 7.4): 1.6165857
• Log P: 1.6733444
• Molar Refractivity: 116.3336 cm^3
• Polarizability: 41.566563 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