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

• ChemBase ID: 671621
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: c1(n(c(=O)c2n(c1)cc(n2)C(=O)NCC)CC1CC1)c1c(oc(c1)C)C
• Canonical SMILES: CCNC(=O)c1nc2n(c1)cc(n(c2=O)CC1CC1)c1cc(oc1C)C
• InChI: InChI=1S/C19H22N4O3/c1-4-20-18(24)15-9-22-10-16(14-7-11(2)26-12(14)3)23(8-13-5-6-13)19(25)17(22)21-15/h7,9-10,13H,4-6,8H2,1-3H3,(H,20,24)
• InChIKey: JMLLLGGQKOYLEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.947282
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3755536
• LogD (pH = 7.4): 1.3755536
• Log P: 1.3755537
• Molar Refractivity: 98.4567 cm^3
• Polarizability: 36.0433 Å^3
• Polar Surface Area: 80.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.12
• LOG S: -3.6
• Polar Surface Area: 81.54 Å^2
• Rotatable Bonds: 5