6-(2-chlorophenyl)-2-(2-ethylpyrrolidine-1-carbonyl)-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazin-8-one

• ChemBase ID: 522304
• Molecular Formular: C22H23ClN4O2
• Molecular Mass: 410.89662
• Monoisotopic Mass: 410.15095368
• SMILES: c1(nc2n(cc(n(c2=O)CC=C)c2c(Cl)cccc2)c1)C(=O)N1C(CCC1)CC
• Canonical SMILES: C=CCn1c(cn2c(c1=O)nc(c2)C(=O)N1CCCC1CC)c1ccccc1Cl
• InChI: InChI=1S/C22H23ClN4O2/c1-3-11-27-19(16-9-5-6-10-17(16)23)14-25-13-18(24-20(25)22(27)29)21(28)26-12-7-8-15(26)4-2/h3,5-6,9-10,13-15H,1,4,7-8,11-12H2,2H3
• InChIKey: OSWSHDHGNLQWNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)-2-(2-ethylpyrrolidine-1-carbonyl)-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazin-8-one
• IUPAC Traditional name: 6-(2-chlorophenyl)-2-(2-ethylpyrrolidine-1-carbonyl)-7-(prop-2-en-1-yl)imidazo[1,2-a]pyrazin-8-one
• Synonyms: 7-allyl-6-(2-chlorophenyl)-2-[(2-ethylpyrrolidin-1-yl)carbonyl]imidazo[1,2-a]pyrazin-8(7H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6026657
• LogD (pH = 7.4): 3.6026657
• Log P: 3.6026657
• Molar Refractivity: 114.3013 cm^3
• Polarizability: 42.769806 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.91
• LOG S: -4.68
• Polar Surface Area: 59.61 Å^2
• Rotatable Bonds: 5