1-{3-cyclobutyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one

• ChemBase ID: 403327
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: c12c(n[nH]c1CCN(C2)C(=O)CCN1OCCC1)C1CCC1
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)C1CCC1)CCN1CCCO1
• InChI: InChI=1S/C16H24N4O2/c21-15(6-9-20-7-2-10-22-20)19-8-5-14-13(11-19)16(18-17-14)12-3-1-4-12/h12H,1-11H2,(H,17,18)
• InChIKey: HCUHPJGMNDOFPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-cyclobutyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one
• IUPAC Traditional name: 1-{3-cyclobutyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one
• Synonyms: 3-cyclobutyl-5-(3-isoxazolidin-2-ylpropanoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.372552
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.16207437
• LogD (pH = 7.4): 0.16264781
• Log P: 0.16265517
• Molar Refractivity: 84.4255 cm^3
• Polarizability: 32.250397 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: 0.68
• LOG S: -2.0
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 4