N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 643166
• Molecular Formular: C15H13N7O
• Molecular Mass: 307.31002
• Monoisotopic Mass: 307.11815807
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCCc1nc2c([nH]1)cccc2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)NCCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C15H13N7O/c23-15(10-6-8-22-14(9-10)19-20-21-22)16-7-5-13-17-11-3-1-2-4-12(11)18-13/h1-4,6,8-9H,5,7H2,(H,16,23)(H,17,18)
• InChIKey: QHGMRUYRWKZQPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(1H-benzimidazol-2-yl)ethyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.796237
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.971453
• LogD (pH = 7.4): 1.1943133
• Log P: 1.1981595
• Molar Refractivity: 95.6754 cm^3
• Polarizability: 31.965939 Å^3
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.55
• LOG S: -3.02
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 4