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

• ChemBase ID: 382464
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: n12c(cc(n1)CNC(=O)C)CN(Cc1c3c(nccc3)ccc1C)CC2
• Canonical SMILES: CC(=O)NCc1nn2c(c1)CN(CC2)Cc1c(C)ccc2c1cccn2
• InChI: InChI=1S/C20H23N5O/c1-14-5-6-20-18(4-3-7-21-20)19(14)13-24-8-9-25-17(12-24)10-16(23-25)11-22-15(2)26/h3-7,10H,8-9,11-13H2,1-2H3,(H,22,26)
• InChIKey: ICNUTTFQGDLRMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.292604
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.03608608
• LogD (pH = 7.4): 1.3777294
• Log P: 1.512615
• Molar Refractivity: 112.3827 cm^3
• Polarizability: 39.926052 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.06
• LOG S: -3.11
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4