{5-[(dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol

• ChemBase ID: 462074
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c12c(n(nc1CO)CC)CCN(C2)Cc1c(onc1C)C
• Canonical SMILES: OCc1nn(c2c1CN(CC2)Cc1c(C)noc1C)CC
• InChI: InChI=1S/C15H22N4O2/c1-4-19-15-5-6-18(8-13(15)14(9-20)16-19)7-12-10(2)17-21-11(12)3/h20H,4-9H2,1-3H3
• InChIKey: KGJYQGWYNDGZFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[(dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• IUPAC Traditional name: {5-[(dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• Synonyms: {5-[(3,5-dimethylisoxazol-4-yl)methyl]-1-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.012167
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0835099
• LogD (pH = 7.4): 0.081287324
• Log P: 0.1645709
• Molar Refractivity: 93.6397 cm^3
• Polarizability: 30.399736 Å^3
• Polar Surface Area: 67.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.25
• LOG S: -0.1
• Polar Surface Area: 67.32 Å^2
• Rotatable Bonds: 4