7-(cyclohex-3-ene-1-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 791244
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: c1(n2c(nc1)CN(C(=O)C1CC=CCC1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)C1CCC=CC1
• InChI: InChI=1S/C14H18N4O2/c15-13(19)11-8-16-12-9-17(6-7-18(11)12)14(20)10-4-2-1-3-5-10/h1-2,8,10H,3-7,9H2,(H2,15,19)
• InChIKey: SZXOMTAZZPRRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclohex-3-ene-1-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(cyclohex-3-ene-1-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(cyclohex-3-en-1-ylcarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872585
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.35793132
• LogD (pH = 7.4): -0.3297669
• Log P: -0.32939354
• Molar Refractivity: 75.3561 cm^3
• Polarizability: 27.94459 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.43
• LOG S: -2.14
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 2