1-ethyl-3-[3-(2-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]piperidine

• ChemBase ID: 627676
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c12c(n[nH]c2CCN(C(=O)C2CN(CCC2)CC)C1)c1c(OC)cccc1
• Canonical SMILES: CCN1CCCC(C1)C(=O)N1CCc2c(C1)c(n[nH]2)c1ccccc1OC
• InChI: InChI=1S/C21H28N4O2/c1-3-24-11-6-7-15(13-24)21(26)25-12-10-18-17(14-25)20(23-22-18)16-8-4-5-9-19(16)27-2/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,22,23)
• InChIKey: XPAASEHYDDQDLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-[3-(2-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]piperidine
• IUPAC Traditional name: 1-ethyl-3-[3-(2-methoxyphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]piperidine
• Synonyms: 5-[(1-ethylpiperidin-3-yl)carbonyl]-3-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.779757
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2599431
• LogD (pH = 7.4): 0.19336481
• Log P: 2.0516548
• Molar Refractivity: 107.4051 cm^3
• Polarizability: 42.142586 Å^3
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.0
• LOG S: -3.6
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 4