N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 825199
• Molecular Formular: C18H19N7O
• Molecular Mass: 349.38976
• Monoisotopic Mass: 349.16510826
• SMILES: c12n(c(cc(n1)C(=O)NCc1nc3n(c1)cc(cc3)C)C(C)C)ncn2
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CNC(=O)c1cc(C(C)C)n2c(n1)ncn2
• InChI: InChI=1S/C18H19N7O/c1-11(2)15-6-14(23-18-20-10-21-25(15)18)17(26)19-7-13-9-24-8-12(3)4-5-16(24)22-13/h4-6,8-11H,7H2,1-3H3,(H,19,26)
• InChIKey: BZSWPAJBHKATPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: 7-isopropyl-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: 7-isopropyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.741043
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1274612
• LogD (pH = 7.4): 1.8381933
• Log P: 1.8654459
• Molar Refractivity: 110.3633 cm^3
• Polarizability: 35.984394 Å^3
• Polar Surface Area: 89.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.39
• LOG S: -2.94
• Polar Surface Area: 89.48 Å^2
• Rotatable Bonds: 4