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

• ChemBase ID: 735493
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c1(c2c(n[nH]1)CCN(C2)Cc1oc(cc1)CCC)C(=O)NC
• Canonical SMILES: CCCc1ccc(o1)CN1CCc2c(C1)c([nH]n2)C(=O)NC
• InChI: InChI=1S/C16H22N4O2/c1-3-4-11-5-6-12(22-11)9-20-8-7-14-13(10-20)15(19-18-14)16(21)17-2/h5-6H,3-4,7-10H2,1-2H3,(H,17,21)(H,18,19)
• InChIKey: CSSGKPWLLHEHEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.396706
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.030147098
• LogD (pH = 7.4): 1.1545502
• Log P: 1.2342281
• Molar Refractivity: 86.1507 cm^3
• Polarizability: 31.82058 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.39
• LOG S: -1.74
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 5