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

• ChemBase ID: 623544
• Molecular Formular: C18H26N6O3
• Molecular Mass: 374.43744
• Monoisotopic Mass: 374.20663872
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCc1cc2n(n1)CCN(C2)C1CCCCC1
• InChI: InChI=1S/C18H26N6O3/c25-16(12-23-17(26)10-20-18(23)27)19-9-13-8-15-11-22(6-7-24(15)21-13)14-4-2-1-3-5-14/h8,14H,1-7,9-12H2,(H,19,25)(H,20,27)
• InChIKey: LGFKWYBRDZKXOW-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-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-({5-cyclohexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.498394
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.8026152
• LogD (pH = 7.4): -1.093679
• Log P: -0.6088791
• Molar Refractivity: 109.2055 cm^3
• Polarizability: 37.721046 Å^3
• Polar Surface Area: 99.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.94
• LOG S: -2.44
• Polar Surface Area: 99.57 Å^2
• Rotatable Bonds: 5