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

• ChemBase ID: 430527
• Molecular Formular: C16H13N5O2S
• Molecular Mass: 339.37172
• Monoisotopic Mass: 339.07899568
• SMILES: n12c(C(=O)NCc3nc(no3)Cc3sccc3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCc1onc(n1)Cc1cccs1
• InChI: InChI=1S/C16H13N5O2S/c22-16(13-5-1-3-11-6-7-18-21(11)13)17-10-15-19-14(20-23-15)9-12-4-2-8-24-12/h1-8H,9-10H2,(H,17,22)
• InChIKey: OXYGEPZGUGHYQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.207643
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4553137
• LogD (pH = 7.4): 2.4553678
• Log P: 2.4553685
• Molar Refractivity: 100.6224 cm^3
• Polarizability: 33.396816 Å^3
• Polar Surface Area: 85.32 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: 1.47
• LOG S: -2.93
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 5