[1-ethyl-5-(1H-imidazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methanol

• ChemBase ID: 736684
• Molecular Formular: C13H19N5O
• Molecular Mass: 261.32286
• Monoisotopic Mass: 261.15896025
• SMILES: c12c(n(nc1CO)CC)CCN(C2)Cc1ncc[nH]1
• Canonical SMILES: OCc1nn(c2c1CN(CC2)Cc1ncc[nH]1)CC
• InChI: InChI=1S/C13H19N5O/c1-2-18-12-3-6-17(8-13-14-4-5-15-13)7-10(12)11(9-19)16-18/h4-5,19H,2-3,6-9H2,1H3,(H,14,15)
• InChIKey: UJGZTGKAHYRNDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-ethyl-5-(1H-imidazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methanol
• IUPAC Traditional name: [1-ethyl-5-(1H-imidazol-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methanol
• Synonyms: [1-ethyl-5-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.601009
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2659019
• LogD (pH = 7.4): -0.6055715
• Log P: -0.57620955
• Molar Refractivity: 84.7383 cm^3
• Polarizability: 27.694708 Å^3
• Polar Surface Area: 69.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.76
• LOG S: -0.76
• Polar Surface Area: 69.97 Å^2
• Rotatable Bonds: 4