6-(2-chlorophenyl)-N-cyclopropyl-8-oxo-7-(prop-2-en-1-yl)-N-propyl-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 696517
• 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)N(C1CC1)CCC
• Canonical SMILES: C=CCn1c(cn2c(c1=O)nc(c2)C(=O)N(C1CC1)CCC)c1ccccc1Cl
• InChI: InChI=1S/C22H23ClN4O2/c1-3-11-26(15-9-10-15)21(28)18-13-25-14-19(16-7-5-6-8-17(16)23)27(12-4-2)22(29)20(25)24-18/h4-8,13-15H,2-3,9-12H2,1H3
• InChIKey: WOUDDUMXLDJTDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)-N-cyclopropyl-8-oxo-7-(prop-2-en-1-yl)-N-propyl-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(2-chlorophenyl)-N-cyclopropyl-8-oxo-7-(prop-2-en-1-yl)-N-propylimidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 7-allyl-6-(2-chlorophenyl)-N-cyclopropyl-8-oxo-N-propyl-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

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: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.88
• LOG S: -4.66
• Polar Surface Area: 59.61 Å^2
• Rotatable Bonds: 7