N-[3-(dimethylamino)propyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 865538
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c12n(cc(c3c(oc(c3)C)C)n(c2=O)C)cc(n1)C(=O)NCCCN(C)C
• Canonical SMILES: CN(CCCNC(=O)c1cn2c(n1)c(=O)n(c(c2)c1cc(oc1C)C)C)C
• InChI: InChI=1S/C19H25N5O3/c1-12-9-14(13(2)27-12)16-11-24-10-15(21-17(24)19(26)23(16)5)18(25)20-7-6-8-22(3)4/h9-11H,6-8H2,1-5H3,(H,20,25)
• InChIKey: GGZSZZCVYSLGPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.943365
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.0070767
• LogD (pH = 7.4): -1.5758728
• Log P: 0.3167727
• Molar Refractivity: 104.6506 cm^3
• Polarizability: 38.29 Å^3
• Polar Surface Area: 83.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.72
• LOG S: -2.52
• Polar Surface Area: 84.78 Å^2
• Rotatable Bonds: 6