6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one

• ChemBase ID: 645985
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: c1(nc2n(cc(c3c(oc(c3)C)C)n(c2=O)C)c1)C(=O)N1CCNCC1
• Canonical SMILES: O=C(c1nc2n(c1)cc(n(c2=O)C)c1cc(oc1C)C)N1CCNCC1
• InChI: InChI=1S/C18H21N5O3/c1-11-8-13(12(2)26-11)15-10-23-9-14(20-16(23)18(25)21(15)3)17(24)22-6-4-19-5-7-22/h8-10,19H,4-7H2,1-3H3
• InChIKey: LPKBTZUDQKQDCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one
• IUPAC Traditional name: 6-(2,5-dimethylfuran-3-yl)-7-methyl-2-(piperazine-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
• Synonyms: 6-(2,5-dimethyl-3-furyl)-7-methyl-2-(piperazin-1-ylcarbonyl)imidazo[1,2-a]pyrazin-8(7H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.348026
• LogD (pH = 7.4): -0.6341486
• Log P: -0.07408385
• Molar Refractivity: 97.4182 cm^3
• Polarizability: 35.740833 Å^3
• Polar Surface Area: 83.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.31
• LOG S: -2.84
• Polar Surface Area: 84.78 Å^2
• Rotatable Bonds: 2