7-[5-(oxolan-2-yl)thiophene-2-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 717951
• Molecular Formular: C16H18N4O3S
• Molecular Mass: 346.40412
• Monoisotopic Mass: 346.10996146
• SMILES: c1(n2c(nc1)CN(C(=O)c1sc(cc1)C1OCCC1)CC2)C(=O)N
• Canonical SMILES: O=C(c1ccc(s1)C1CCCO1)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C16H18N4O3S/c17-15(21)10-8-18-14-9-19(5-6-20(10)14)16(22)13-4-3-12(24-13)11-2-1-7-23-11/h3-4,8,11H,1-2,5-7,9H2,(H2,17,21)
• InChIKey: VDVFJTATWRPRHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[5-(oxolan-2-yl)thiophene-2-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[5-(oxolan-2-yl)thiophene-2-carbonyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-{[5-(tetrahydrofuran-2-yl)-2-thienyl]carbonyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.87256
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.13134213
• LogD (pH = 7.4): 0.15948927
• Log P: 0.1598624
• Molar Refractivity: 89.1601 cm^3
• Polarizability: 33.324886 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.03
• LOG S: -3.01
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 3