5-[(5-chlorofuran-2-yl)methyl]-N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 381893
• Molecular Formular: C13H15ClN4O2
• Molecular Mass: 294.7368
• Monoisotopic Mass: 294.08835342
• SMILES: c1(c2c(n[nH]1)CCN(C2)Cc1oc(cc1)Cl)C(=O)NC
• Canonical SMILES: CNC(=O)c1[nH]nc2c1CN(CC2)Cc1ccc(o1)Cl
• InChI: InChI=1S/C13H15ClN4O2/c1-15-13(19)12-9-7-18(5-4-10(9)16-17-12)6-8-2-3-11(14)20-8/h2-3H,4-7H2,1H3,(H,15,19)(H,16,17)
• InChIKey: VTFPTVUEBYWRIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(5-chlorofuran-2-yl)methyl]-N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-[(5-chlorofuran-2-yl)methyl]-N-methyl-2H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[(5-chloro-2-furyl)methyl]-N-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.396009
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.15107825
• LogD (pH = 7.4): 0.36918154
• Log P: 0.38663107
• Molar Refractivity: 76.6819 cm^3
• Polarizability: 28.398153 Å^3
• Polar Surface Area: 74.16 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: -0.39
• LOG S: -2.33
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 3