7-[2-(1H-pyrazol-1-yl)butanoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 336648
• Molecular Formular: C14H18N6O2
• Molecular Mass: 302.33172
• Monoisotopic Mass: 302.14912385
• SMILES: c1(n2c(nc1)CN(C(=O)C(n1nccc1)CC)CC2)C(=O)N
• Canonical SMILES: CCC(C(=O)N1CCn2c(C1)ncc2C(=O)N)n1cccn1
• InChI: InChI=1S/C14H18N6O2/c1-2-10(20-5-3-4-17-20)14(22)18-6-7-19-11(13(15)21)8-16-12(19)9-18/h3-5,8,10H,2,6-7,9H2,1H3,(H2,15,21)
• InChIKey: IEDVDIQHEUJPTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872583
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.91589296
• LogD (pH = 7.4): -0.88762724
• Log P: -0.88725257
• Molar Refractivity: 90.4575 cm^3
• Polarizability: 29.832584 Å^3
• Polar Surface Area: 99.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.42
• LOG S: -2.36
• Polar Surface Area: 99.04 Å^2
• Rotatable Bonds: 4