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

• ChemBase ID: 535690
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: c1(n(c(=O)c2n(c1)cc(n2)C(=O)NCCO)CC1CC1)c1c(oc(c1)C)C
• Canonical SMILES: OCCNC(=O)c1nc2n(c1)cc(n(c2=O)CC1CC1)c1cc(oc1C)C
• InChI: InChI=1S/C19H22N4O4/c1-11-7-14(12(2)27-11)16-10-22-9-15(18(25)20-5-6-24)21-17(22)19(26)23(16)8-13-3-4-13/h7,9-10,13,24H,3-6,8H2,1-2H3,(H,20,25)
• InChIKey: CQYVAEJLEZOTNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.902737
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.32864368
• LogD (pH = 7.4): 0.3286436
• Log P: 0.3286437
• Molar Refractivity: 100.0004 cm^3
• Polarizability: 36.703953 Å^3
• Polar Surface Area: 100.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.1
• LOG S: -2.84
• Polar Surface Area: 101.77 Å^2
• Rotatable Bonds: 6