2,7-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 524211
• Molecular Formular: C12H13N7O
• Molecular Mass: 271.27792
• Monoisotopic Mass: 271.11815807
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)NCc1nnn[nH]1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)NCc1nnn[nH]1)C
• InChI: InChI=1S/C12H13N7O/c1-7-3-4-19-10(5-7)14-8(2)11(19)12(20)13-6-9-15-17-18-16-9/h3-5H,6H2,1-2H3,(H,13,20)(H,15,16,17,18)
• InChIKey: RALVLEUMHRTYEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: 2,7-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: 2,7-dimethyl-N-(1H-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.51621
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.7645725
• LogD (pH = 7.4): -2.1509795
• Log P: -1.4041113
• Molar Refractivity: 75.6219 cm^3
• Polarizability: 26.23944 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: 0.34
• LOG S: -2.78
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 3