5-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1-(2-methoxyethyl)piperidin-2-one

• ChemBase ID: 735149
• Molecular Formular: C17H26N4O3
• Molecular Mass: 334.41334
• Monoisotopic Mass: 334.20049071
• SMILES: c12CN(C(=O)C3CN(C(=O)CC3)CCOC)CCc1[nH]nc2CC
• Canonical SMILES: COCCN1CC(CCC1=O)C(=O)N1CCc2c(C1)c(CC)n[nH]2
• InChI: InChI=1S/C17H26N4O3/c1-3-14-13-11-21(7-6-15(13)19-18-14)17(23)12-4-5-16(22)20(10-12)8-9-24-2/h12H,3-11H2,1-2H3,(H,18,19)
• InChIKey: QMHVAVFVLKEQDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1-(2-methoxyethyl)piperidin-2-one
• IUPAC Traditional name: 5-{3-ethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1-(2-methoxyethyl)piperidin-2-one
• Synonyms: 5-[(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)carbonyl]-1-(2-methoxyethyl)piperidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.468934
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.34815052
• LogD (pH = 7.4): -0.3475352
• Log P: -0.3475273
• Molar Refractivity: 91.3165 cm^3
• Polarizability: 34.53231 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.35
• LOG S: -2.65
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 5