6-(2-chlorophenyl)-7-methyl-2-(piperidine-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one

• ChemBase ID: 703575
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: c1(nc2n(cc(n(c2=O)C)c2c(Cl)cccc2)c1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1cn2c(n1)c(=O)n(c(c2)c1ccccc1Cl)C)N1CCCCC1
• InChI: InChI=1S/C19H19ClN4O2/c1-22-16(13-7-3-4-8-14(13)20)12-24-11-15(21-17(24)19(22)26)18(25)23-9-5-2-6-10-23/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
• InChIKey: IYJCYFKHGRBZKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)-7-methyl-2-(piperidine-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one
• IUPAC Traditional name: 6-(2-chlorophenyl)-7-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
• Synonyms: 6-(2-chlorophenyl)-7-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyrazin-8(7H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.376887
• LogD (pH = 7.4): 2.376887
• Log P: 2.376887
• Molar Refractivity: 100.7968 cm^3
• Polarizability: 37.50919 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.57
• LOG S: -3.25
• Polar Surface Area: 59.61 Å^2
• Rotatable Bonds: 2