2-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-(prop-2-en-1-yl)pyrrolidine

• ChemBase ID: 849513
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: N1(C(=O)C2N(CC=C)CCC2)Cc2n(cnc2)CC1
• Canonical SMILES: C=CCN1CCCC1C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C14H20N4O/c1-2-5-16-6-3-4-13(16)14(19)17-7-8-18-11-15-9-12(18)10-17/h2,9,11,13H,1,3-8,10H2
• InChIKey: SVDHAKYZTYJIQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-(prop-2-en-1-yl)pyrrolidine
• IUPAC Traditional name: 2-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-1-(prop-2-en-1-yl)pyrrolidine
• Synonyms: 7-(1-allylprolyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.2653854
• LogD (pH = 7.4): -0.1718391
• Log P: 0.23572122
• Molar Refractivity: 74.5099 cm^3
• Polarizability: 28.432423 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.17
• LOG S: -2.26
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3