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

• ChemBase ID: 744403
• Molecular Formular: C15H19N5O3
• Molecular Mass: 317.34306
• Monoisotopic Mass: 317.14878949
• SMILES: c1(n2c(nc1)CN(C(=O)c1cc(no1)CC(C)C)CC2)C(=O)N
• Canonical SMILES: CC(Cc1noc(c1)C(=O)N1CCn2c(C1)ncc2C(=O)N)C
• InChI: InChI=1S/C15H19N5O3/c1-9(2)5-10-6-12(23-18-10)15(22)19-3-4-20-11(14(16)21)7-17-13(20)8-19/h6-7,9H,3-5,8H2,1-2H3,(H2,16,21)
• InChIKey: HHDNCSXQBACPOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872559
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4072793
• LogD (pH = 7.4): -0.37913248
• Log P: -0.37875938
• Molar Refractivity: 83.3953 cm^3
• Polarizability: 30.607061 Å^3
• Polar Surface Area: 107.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.47
• LOG S: -1.92
• Polar Surface Area: 107.25 Å^2
• Rotatable Bonds: 4