N,N-dimethyl-5-{[2-(5-methylfuran-2-yl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 795610
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(c2c([nH]n1)CCN(C2)Cc1c(c2oc(cc2)C)cccc1)C(=O)N(C)C
• Canonical SMILES: Cc1ccc(o1)c1ccccc1CN1CCc2c(C1)c(n[nH]2)C(=O)N(C)C
• InChI: InChI=1S/C21H24N4O2/c1-14-8-9-19(27-14)16-7-5-4-6-15(16)12-25-11-10-18-17(13-25)20(23-22-18)21(26)24(2)3/h4-9H,10-13H2,1-3H3,(H,22,23)
• InChIKey: DIIQKDXSSMFTOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.943638
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.47151533
• LogD (pH = 7.4): 2.012395
• Log P: 2.265364
• Molar Refractivity: 107.3748 cm^3
• Polarizability: 40.91455 Å^3
• Polar Surface Area: 65.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.14
• LOG S: -2.83
• Polar Surface Area: 65.37 Å^2
• Rotatable Bonds: 4