N-[1-(furan-2-yl)ethyl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 845556
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: c1(C(=O)N(C(c2occc2)C)C)c2n(nc1)CCCC2
• Canonical SMILES: CN(C(=O)c1cnn2c1CCCC2)C(c1ccco1)C
• InChI: InChI=1S/C15H19N3O2/c1-11(14-7-5-9-20-14)17(2)15(19)12-10-16-18-8-4-3-6-13(12)18/h5,7,9-11H,3-4,6,8H2,1-2H3
• InChIKey: FYFLEVCOKYRWAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5934746
• LogD (pH = 7.4): 1.593512
• Log P: 1.5935125
• Molar Refractivity: 87.7986 cm^3
• Polarizability: 28.455404 Å^3
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.15
• LOG S: -2.18
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 3