2-cyclohexyl-N-{imidazo[1,2-a]pyrazin-3-ylmethyl}acetamide

• ChemBase ID: 348747
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: n12c(ncc1CNC(=O)CC1CCCCC1)cncc2
• Canonical SMILES: O=C(CC1CCCCC1)NCc1cnc2n1ccnc2
• InChI: InChI=1S/C15H20N4O/c20-15(8-12-4-2-1-3-5-12)18-10-13-9-17-14-11-16-6-7-19(13)14/h6-7,9,11-12H,1-5,8,10H2,(H,18,20)
• InChIKey: KYBBUPJFTOQNHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-N-{imidazo[1,2-a]pyrazin-3-ylmethyl}acetamide
• IUPAC Traditional name: 2-cyclohexyl-N-{imidazo[1,2-a]pyrazin-3-ylmethyl}acetamide
• Synonyms: 2-cyclohexyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.311864
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.70675856
• LogD (pH = 7.4): 0.70857364
• Log P: 0.7085969
• Molar Refractivity: 77.3515 cm^3
• Polarizability: 29.452053 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.97
• LOG S: -2.02
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4