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

• ChemBase ID: 836581
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: c12n(nc(c1)CNC(=O)Cn1c(=O)nccc1)CCN(C2)C1CCCCC1
• Canonical SMILES: O=C(Cn1cccnc1=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C19H26N6O2/c26-18(14-24-8-4-7-20-19(24)27)21-12-15-11-17-13-23(9-10-25(17)22-15)16-5-2-1-3-6-16/h4,7-8,11,16H,1-3,5-6,9-10,12-14H2,(H,21,26)
• InChIKey: AOVTYEJNEBDMSZ-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-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide
• IUPAC Traditional name: N-({5-cyclohexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)-2-(2-oxopyrimidin-1-yl)acetamide
• Synonyms: N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-oxopyrimidin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.513258
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.998801
• LogD (pH = 7.4): -0.28982884
• Log P: 0.19493492
• Molar Refractivity: 113.2382 cm^3
• Polarizability: 38.785927 Å^3
• Polar Surface Area: 82.83 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: -0.38
• LOG S: -2.89
• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 5