N-benzyl-1-(2-hydroxyethyl)-5-{[5-(methoxymethyl)furan-2-yl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 454041
• Molecular Formular: C23H28N4O4
• Molecular Mass: 424.49282
• Monoisotopic Mass: 424.2110554
• SMILES: c12c(nn(c1CCN(C2)Cc1oc(cc1)COC)CCO)C(=O)NCc1ccccc1
• Canonical SMILES: OCCn1nc(c2c1CCN(C2)Cc1ccc(o1)COC)C(=O)NCc1ccccc1
• InChI: InChI=1S/C23H28N4O4/c1-30-16-19-8-7-18(31-19)14-26-10-9-21-20(15-26)22(25-27(21)11-12-28)23(29)24-13-17-5-3-2-4-6-17/h2-8,28H,9-16H2,1H3,(H,24,29)
• InChIKey: WVRYNLFHEUQFEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-(2-hydroxyethyl)-5-{[5-(methoxymethyl)furan-2-yl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-1-(2-hydroxyethyl)-5-{[5-(methoxymethyl)furan-2-yl]methyl}-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-benzyl-1-(2-hydroxyethyl)-5-{[5-(methoxymethyl)-2-furyl]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.061022
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.03641925
• LogD (pH = 7.4): 1.0876442
• Log P: 1.1487262
• Molar Refractivity: 129.7577 cm^3
• Polarizability: 44.56501 Å^3
• Polar Surface Area: 92.76 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 1.43
• LOG S: -4.01
• Polar Surface Area: 92.76 Å^2
• Rotatable Bonds: 8