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

• ChemBase ID: 533757
• Molecular Formular: C13H13N5O
• Molecular Mass: 255.27522
• Monoisotopic Mass: 255.11201006
• SMILES: n12c(C(=O)NCCc3nc[nH]c3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCCc1c[nH]cn1
• InChI: InChI=1S/C13H13N5O/c19-13(15-6-4-10-8-14-9-16-10)12-3-1-2-11-5-7-17-18(11)12/h1-3,5,7-9H,4,6H2,(H,14,16)(H,15,19)
• InChIKey: XDQTVOPWAIAADC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.090747
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.36716524
• LogD (pH = 7.4): 0.36996105
• Log P: 0.4219882
• Molar Refractivity: 81.5751 cm^3
• Polarizability: 26.882883 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.05
• LOG S: -2.33
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4