N-{[5-(pyridin-2-yl)thiophen-2-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 664659
• Molecular Formular: C17H17N5OS
• Molecular Mass: 339.41478
• Monoisotopic Mass: 339.11538119
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCc1sc(cc1)c1ncccc1
• Canonical SMILES: O=C(c1cn2c(n1)CNCC2)NCc1ccc(s1)c1ccccn1
• InChI: InChI=1S/C17H17N5OS/c23-17(14-11-22-8-7-18-10-16(22)21-14)20-9-12-4-5-15(24-12)13-3-1-2-6-19-13/h1-6,11,18H,7-10H2,(H,20,23)
• InChIKey: WKDWFWNPROSXTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(pyridin-2-yl)thiophen-2-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{[5-(pyridin-2-yl)thiophen-2-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-{[5-(2-pyridinyl)-2-thienyl]methyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.132886
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.33448476
• LogD (pH = 7.4): 1.38699
• Log P: 1.4480727
• Molar Refractivity: 92.0125 cm^3
• Polarizability: 36.372257 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.92
• LOG S: -2.46
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 4