N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-2-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetamide

• ChemBase ID: 747327
• Molecular Formular: C18H19N7O2
• Molecular Mass: 365.38916
• Monoisotopic Mass: 365.16002288
• SMILES: n12c(nc(n2)CC(=O)NCc2nc3n(c(cc(c3)C)C)c2)nc(cc1O)C
• Canonical SMILES: O=C(Cc1nc2n(n1)c(O)cc(n2)C)NCc1nc2n(c1)c(C)cc(c2)C
• InChI: InChI=1S/C18H19N7O2/c1-10-4-12(3)24-9-13(21-15(24)5-10)8-19-16(26)7-14-22-18-20-11(2)6-17(27)25(18)23-14/h4-6,9,27H,7-8H2,1-3H3,(H,19,26)
• InChIKey: QIDVWBIHLUXXOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-2-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetamide
• IUPAC Traditional name: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-2-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetamide
• Synonyms: N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.147544
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.9858313
• LogD (pH = 7.4): 1.4999651
• Log P: 1.5839922
• Molar Refractivity: 111.2777 cm^3
• Polarizability: 36.75257 Å^3
• Polar Surface Area: 109.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.21
• LOG S: -2.9
• Polar Surface Area: 109.71 Å^2
• Rotatable Bonds: 4