2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)acetamide

• ChemBase ID: 343926
• Molecular Formular: C19H19N7O
• Molecular Mass: 361.40046
• Monoisotopic Mass: 361.16510826
• SMILES: n12c(nc(c1)CNC(=O)Cc1ccc(n3nnnc3C)cc1)cccc2C
• Canonical SMILES: O=C(Cc1ccc(cc1)n1nnnc1C)NCc1nc2n(c1)c(C)ccc2
• InChI: InChI=1S/C19H19N7O/c1-13-4-3-5-18-21-16(12-25(13)18)11-20-19(27)10-15-6-8-17(9-7-15)26-14(2)22-23-24-26/h3-9,12H,10-11H2,1-2H3,(H,20,27)
• InChIKey: KFFLEEOHJUEIFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)acetamide
• IUPAC Traditional name: 2-[4-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]-N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)acetamide
• Synonyms: N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[4-(5-methyl-1H-tetrazol-1-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.926815
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.41300878
• LogD (pH = 7.4): 0.9643464
• Log P: 0.98002654
• Molar Refractivity: 104.5786 cm^3
• Polarizability: 38.465984 Å^3
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.19
• LOG S: -4.83
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5