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

• ChemBase ID: 423209
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c1(nc2n(cc(c3c(oc(c3)C)C)n(c2=O)C)c1)C(=O)N(CCN(C)C)C
• Canonical SMILES: CN(CCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1cc(oc1C)C)C)C)C
• InChI: InChI=1S/C19H25N5O3/c1-12-9-14(13(2)27-12)16-11-24-10-15(20-17(24)19(26)23(16)6)18(25)22(5)8-7-21(3)4/h9-11H,7-8H2,1-6H3
• InChIKey: WDBBHPZQVWNQMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3741736
• LogD (pH = 7.4): -0.6188572
• Log P: 0.48048905
• Molar Refractivity: 104.6819 cm^3
• Polarizability: 38.289886 Å^3
• Polar Surface Area: 74.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.42
• LOG S: -2.27
• Polar Surface Area: 75.99 Å^2
• Rotatable Bonds: 5