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

• ChemBase ID: 453675
• Molecular Formular: C17H15N5O
• Molecular Mass: 305.3339
• Monoisotopic Mass: 305.12766013
• SMILES: c1(c2n(nc1)cccc2)C(=O)NCCc1nc2c([nH]1)cccc2
• Canonical SMILES: O=C(c1cnn2c1cccc2)NCCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C17H15N5O/c23-17(12-11-19-22-10-4-3-7-15(12)22)18-9-8-16-20-13-5-1-2-6-14(13)21-16/h1-7,10-11H,8-9H2,(H,18,23)(H,20,21)
• InChIKey: VMVXCKSBFQOESP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.799053
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6716928
• LogD (pH = 7.4): 1.8945637
• Log P: 1.8984098
• Molar Refractivity: 97.5025 cm^3
• Polarizability: 34.392017 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: 1.91
• LOG S: -4.17
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4