7-[2-(thiophen-2-yl)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 612100
• Molecular Formular: C13H14N4O2S
• Molecular Mass: 290.34086
• Monoisotopic Mass: 290.08374671
• SMILES: c1(n2c(nc1)CN(C(=O)Cc1sccc1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)Cc1cccs1
• InChI: InChI=1S/C13H14N4O2S/c14-13(19)10-7-15-11-8-16(3-4-17(10)11)12(18)6-9-2-1-5-20-9/h1-2,5,7H,3-4,6,8H2,(H2,14,19)
• InChIKey: SCBHPNQRLVCNMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(thiophen-2-yl)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[2-(thiophen-2-yl)acetyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(2-thienylacetyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872585
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.36229017
• LogD (pH = 7.4): -0.33412626
• Log P: -0.33375293
• Molar Refractivity: 74.6491 cm^3
• Polarizability: 28.005087 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.1
• LOG S: -2.26
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 3