N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 619728
• Molecular Formular: C20H18N6O2
• Molecular Mass: 374.39592
• Monoisotopic Mass: 374.14912385
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCCc1nc(cc(n1)O)N
• Canonical SMILES: Nc1nc(CCNC(=O)c2ccc3n(c2)cc(n3)c2ccccc2)nc(c1)O
• InChI: InChI=1S/C20H18N6O2/c21-16-10-19(27)25-17(24-16)8-9-22-20(28)14-6-7-18-23-15(12-26(18)11-14)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,28)(H3,21,24,25,27)
• InChIKey: QOJUIBWYVCSQPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.069194
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 2.454295
• LogD (pH = 7.4): 2.6448245
• Log P: 2.6479294
• Molar Refractivity: 107.471 cm^3
• Polarizability: 40.29662 Å^3
• Polar Surface Area: 118.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.23
• LOG S: -2.98
• Polar Surface Area: 118.43 Å^2
• Rotatable Bonds: 5