N-methyl-N-(3-phenylpropyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 331943
• Molecular Formular: C17H22N4O
• Molecular Mass: 298.38278
• Monoisotopic Mass: 298.17936134
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(CCCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)CNCC2)CCCc1ccccc1
• InChI: InChI=1S/C17H22N4O/c1-20(10-5-8-14-6-3-2-4-7-14)17(22)15-13-21-11-9-18-12-16(21)19-15/h2-4,6-7,13,18H,5,8-12H2,1H3
• InChIKey: UHGYRMPEZODUTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(3-phenylpropyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-methyl-N-(3-phenylpropyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-methyl-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5700885
• LogD (pH = 7.4): 1.6190742
• Log P: 1.6799879
• Molar Refractivity: 86.9839 cm^3
• Polarizability: 33.18162 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.79
• LOG S: -2.05
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5