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

• ChemBase ID: 852588
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCCc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CCNC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C17H21N3O2/c1-22-14-6-4-5-13(11-14)8-9-18-17(21)15-12-19-20-10-3-2-7-16(15)20/h4-6,11-12H,2-3,7-10H2,1H3,(H,18,21)
• InChIKey: SUXZOMOPFNMVMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.715805
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0239663
• LogD (pH = 7.4): 2.0240042
• Log P: 2.0240047
• Molar Refractivity: 97.3104 cm^3
• Polarizability: 32.249653 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.22
• LOG S: -3.28
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5