N-[(4-hydroxy-3-methoxyphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 559614
• Molecular Formular: C16H15N3O3
• Molecular Mass: 297.3086
• Monoisotopic Mass: 297.11134136
• SMILES: n12c(C(=O)NCc3cc(c(cc3)O)OC)cccc1ccn2
• Canonical SMILES: COc1cc(CNC(=O)c2cccc3n2ncc3)ccc1O
• InChI: InChI=1S/C16H15N3O3/c1-22-15-9-11(5-6-14(15)20)10-17-16(21)13-4-2-3-12-7-8-18-19(12)13/h2-9,20H,10H2,1H3,(H,17,21)
• InChIKey: RGEOJNORTQGCSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-hydroxy-3-methoxyphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(4-hydroxy-3-methoxyphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-(4-hydroxy-3-methoxybenzyl)pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.928675
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.760666
• LogD (pH = 7.4): 1.759461
• Log P: 1.7607371
• Molar Refractivity: 92.8872 cm^3
• Polarizability: 31.347982 Å^3
• Polar Surface Area: 75.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.37
• LOG S: -2.54
• Polar Surface Area: 75.86 Å^2
• Rotatable Bonds: 4