5-methyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 520200
• Molecular Formular: C11H11N7O
• Molecular Mass: 257.25134
• Monoisotopic Mass: 257.10250801
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)NCc1nnn[nH]1
• Canonical SMILES: O=C(c1cn2c(n1)cccc2C)NCc1nnn[nH]1
• InChI: InChI=1S/C11H11N7O/c1-7-3-2-4-10-13-8(6-18(7)10)11(19)12-5-9-14-16-17-15-9/h2-4,6H,5H2,1H3,(H,12,19)(H,14,15,16,17)
• InChIKey: BRJIEIKXMIJICX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 5-methyl-N-(1H-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.1352444
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.7296916
• LogD (pH = 7.4): -2.130194
• Log P: -0.8580971
• Molar Refractivity: 70.8894 cm^3
• Polarizability: 24.486572 Å^3
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.12
• LOG S: -2.28
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 3