N-{[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 376206
• Molecular Formular: C16H17N5O2S
• Molecular Mass: 343.40348
• Monoisotopic Mass: 343.11029581
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCc1nc(on1)Cc1sccc1
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCc1noc(n1)Cc1cccs1
• InChI: InChI=1S/C16H17N5O2S/c22-16(12-9-18-21-6-2-1-5-13(12)21)17-10-14-19-15(23-20-14)8-11-4-3-7-24-11/h3-4,7,9H,1-2,5-6,8,10H2,(H,17,22)
• InChIKey: ABUMWZBNUISPBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-{[5-(2-thienylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.310778
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8730795
• LogD (pH = 7.4): 1.873117
• Log P: 1.8731179
• Molar Refractivity: 102.2715 cm^3
• Polarizability: 33.11678 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.44
• LOG S: -2.93
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 5