N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 744316
• Molecular Formular: C17H16N6O
• Molecular Mass: 320.34854
• Monoisotopic Mass: 320.13855916
• SMILES: n12c(C(=O)NCCCn3nnc4c3cccc4)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCCCn1nnc2c1cccc2
• InChI: InChI=1S/C17H16N6O/c24-17(16-8-3-5-13-9-11-19-23(13)16)18-10-4-12-22-15-7-2-1-6-14(15)20-21-22/h1-3,5-9,11H,4,10,12H2,(H,18,24)
• InChIKey: ZZMSYKJWOAKTHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.689948
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8108343
• LogD (pH = 7.4): 1.8108927
• Log P: 1.8108935
• Molar Refractivity: 112.001 cm^3
• Polarizability: 35.34878 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.8
• LOG S: -4.18
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5