6-(2,5-dimethylfuran-3-yl)-N,N-dimethyl-8-oxo-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 579744
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: c1(nc2n(cc(c3c(oc(c3)C)C)n(c2=O)CC=C)c1)C(=O)N(C)C
• Canonical SMILES: C=CCn1c(cn2c(c1=O)nc(c2)C(=O)N(C)C)c1cc(oc1C)C
• InChI: InChI=1S/C18H20N4O3/c1-6-7-22-15(13-8-11(2)25-12(13)3)10-21-9-14(17(23)20(4)5)19-16(21)18(22)24/h6,8-10H,1,7H2,2-5H3
• InChIKey: YDMAGBHUHUDUNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,5-dimethylfuran-3-yl)-N,N-dimethyl-8-oxo-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(2,5-dimethylfuran-3-yl)-N,N-dimethyl-8-oxo-7-(prop-2-en-1-yl)imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 7-allyl-6-(2,5-dimethyl-3-furyl)-N,N-dimethyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1930944
• LogD (pH = 7.4): 1.1930944
• Log P: 1.1930944
• Molar Refractivity: 95.8255 cm^3
• Polarizability: 34.68027 Å^3
• Polar Surface Area: 71.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.15
• LOG S: -2.66
• Polar Surface Area: 72.75 Å^2
• Rotatable Bonds: 4