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

• ChemBase ID: 612363
• Molecular Formular: C11H11N7O
• Molecular Mass: 257.25134
• Monoisotopic Mass: 257.10250801
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC(c1nnn[nH]1)C
• Canonical SMILES: O=C(c1cccc2n1ncc2)NC(c1nnn[nH]1)C
• InChI: InChI=1S/C11H11N7O/c1-7(10-14-16-17-15-10)13-11(19)9-4-2-3-8-5-6-12-18(8)9/h2-7H,1H3,(H,13,19)(H,14,15,16,17)
• InChIKey: GUBFSICZYQUFQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.046318
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.120013
• LogD (pH = 7.4): -1.4844494
• Log P: 0.119694114
• Molar Refractivity: 80.5246 cm^3
• Polarizability: 25.185638 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: -0.32
• LOG S: -2.11
• Polar Surface Area: 100.86 Å^2
• Rotatable Bonds: 3