N-[2-(propan-2-ylsulfanyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 715042
• Molecular Formular: C13H17N3OS
• Molecular Mass: 263.35858
• Monoisotopic Mass: 263.10923318
• SMILES: n12c(C(=O)NCCSC(C)C)cccc1ccn2
• Canonical SMILES: CC(SCCNC(=O)c1cccc2n1ncc2)C
• InChI: InChI=1S/C13H17N3OS/c1-10(2)18-9-8-14-13(17)12-5-3-4-11-6-7-15-16(11)12/h3-7,10H,8-9H2,1-2H3,(H,14,17)
• InChIKey: GMJOLQORLWTKHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(propan-2-ylsulfanyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(isopropylsulfanyl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(isopropylthio)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.679445
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8556416
• LogD (pH = 7.4): 1.855696
• Log P: 1.8556967
• Molar Refractivity: 86.2222 cm^3
• Polarizability: 29.056442 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.06
• LOG S: -2.88
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5