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

• ChemBase ID: 732043
• Molecular Formular: C19H32N6O
• Molecular Mass: 360.49698
• Monoisotopic Mass: 360.26375967
• SMILES: c12n(nc(c1)CNC(=O)N1CCN(CC1)C)CCN(C2)C1CCCCC1
• Canonical SMILES: CN1CCN(CC1)C(=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C19H32N6O/c1-22-7-9-23(10-8-22)19(26)20-14-16-13-18-15-24(11-12-25(18)21-16)17-5-3-2-4-6-17/h13,17H,2-12,14-15H2,1H3,(H,20,26)
• InChIKey: YYZRYNVIJOBEIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.038211
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8461583
• LogD (pH = 7.4): 0.24084085
• Log P: 0.8772625
• Molar Refractivity: 114.342 cm^3
• Polarizability: 39.72907 Å^3
• Polar Surface Area: 56.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.72
• LOG S: -2.44
• Polar Surface Area: 56.64 Å^2
• Rotatable Bonds: 3