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

• ChemBase ID: 752348
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: c12c([nH]nc1CO)CCN(C2)Cc1oc2c(c1)cccc2
• Canonical SMILES: OCc1n[nH]c2c1CN(CC2)Cc1cc2c(o1)cccc2
• InChI: InChI=1S/C16H17N3O2/c20-10-15-13-9-19(6-5-14(13)17-18-15)8-12-7-11-3-1-2-4-16(11)21-12/h1-4,7,20H,5-6,8-10H2,(H,17,18)
• InChIKey: IGXMISUKCZRLTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.238097
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6702579
• LogD (pH = 7.4): 0.8404815
• Log P: 1.0677345
• Molar Refractivity: 81.2105 cm^3
• Polarizability: 31.642166 Å^3
• Polar Surface Area: 65.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.03
• LOG S: -1.14
• Polar Surface Area: 65.29 Å^2
• Rotatable Bonds: 3