methyl 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate

• ChemBase ID: 557112
• Molecular Formular: C14H17N5O3
• Molecular Mass: 303.31648
• Monoisotopic Mass: 303.13313943
• SMILES: c12c(n[nH]c1CCN(c1oc(nn1)C1CCC1)C2)C(=O)OC
• Canonical SMILES: COC(=O)c1n[nH]c2c1CN(CC2)c1nnc(o1)C1CCC1
• InChI: InChI=1S/C14H17N5O3/c1-21-13(20)11-9-7-19(6-5-10(9)15-16-11)14-18-17-12(22-14)8-3-2-4-8/h8H,2-7H2,1H3,(H,15,16)
• InChIKey: FHOIQWBLZDULHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
• IUPAC Traditional name: methyl 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
• Synonyms: methyl 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.895589
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0435637
• LogD (pH = 7.4): 1.0422304
• Log P: 1.0435816
• Molar Refractivity: 80.5772 cm^3
• Polarizability: 28.825691 Å^3
• Polar Surface Area: 97.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.01
• LOG S: -2.53
• Polar Surface Area: 97.14 Å^2
• Rotatable Bonds: 4