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

• ChemBase ID: 830775
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NC(c1n(ncc1)C)COC
• Canonical SMILES: COCC(c1ccnn1C)NC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C15H21N5O2/c1-19-14(6-7-16-19)12(10-22-2)18-15(21)11-9-17-20-8-4-3-5-13(11)20/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,21)
• InChIKey: ACMRKSCESWDJPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.765762
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.25352857
• LogD (pH = 7.4): 0.2536657
• Log P: 0.2536676
• Molar Refractivity: 105.5868 cm^3
• Polarizability: 30.88041 Å^3
• Polar Surface Area: 73.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.45
• LOG S: -1.8
• Polar Surface Area: 73.97 Å^2
• Rotatable Bonds: 5