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

• ChemBase ID: 511407
• Molecular Formular: C14H17N5O
• Molecular Mass: 271.31768
• Monoisotopic Mass: 271.14331019
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCc1ncc(nc1)C
• Canonical SMILES: Cc1ncc(nc1)CNC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C14H17N5O/c1-10-6-16-11(7-15-10)8-17-14(20)12-9-18-19-5-3-2-4-13(12)19/h6-7,9H,2-5,8H2,1H3,(H,17,20)
• InChIKey: CUAURBZYGGDNNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.520824
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.32954144
• LogD (pH = 7.4): -0.3294889
• Log P: -0.32948795
• Molar Refractivity: 85.8477 cm^3
• Polarizability: 27.88669 Å^3
• Polar Surface Area: 72.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.34
• LOG S: -2.78
• Polar Surface Area: 72.7 Å^2
• Rotatable Bonds: 3