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

• ChemBase ID: 611285
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c12c([nH]nc2CC)CCN(C(=O)Nc2c(c3oc(cc3)C)cccc2)C1
• Canonical SMILES: CCc1n[nH]c2c1CN(CC2)C(=O)Nc1ccccc1c1ccc(o1)C
• InChI: InChI=1S/C20H22N4O2/c1-3-16-15-12-24(11-10-18(15)23-22-16)20(25)21-17-7-5-4-6-14(17)19-9-8-13(2)26-19/h4-9H,3,10-12H2,1-2H3,(H,21,25)(H,22,23)
• InChIKey: AWAZPNBFQITBQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.314293
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8229249
• LogD (pH = 7.4): 2.8235345
• Log P: 2.8235474
• Molar Refractivity: 102.8838 cm^3
• Polarizability: 38.877525 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: 3
• H Donor: 2
• Log P: 3.41
• LOG S: -4.67
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 3