4-methyl-5-{pyrazolo[1,5-a]pyridin-7-yl}-2-(4H-1,2,4-triazol-4-yl)pyridine

• ChemBase ID: 464935
• Molecular Formular: C15H12N6
• Molecular Mass: 276.29598
• Monoisotopic Mass: 276.11234441
• SMILES: n12c(c3c(cc(n4cnnc4)nc3)C)cccc1ccn2
• Canonical SMILES: Cc1cc(ncc1c1cccc2n1ncc2)n1cnnc1
• InChI: InChI=1S/C15H12N6/c1-11-7-15(20-9-17-18-10-20)16-8-13(11)14-4-2-3-12-5-6-19-21(12)14/h2-10H,1H3
• InChIKey: WAJUPJQKZDYLPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-5-{pyrazolo[1,5-a]pyridin-7-yl}-2-(4H-1,2,4-triazol-4-yl)pyridine
• IUPAC Traditional name: 4-methyl-5-{pyrazolo[1,5-a]pyridin-7-yl}-2-(1,2,4-triazol-4-yl)pyridine
• Synonyms: 7-[4-methyl-6-(4H-1,2,4-triazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7489209
• LogD (pH = 7.4): 1.7631443
• Log P: 1.7633288
• Molar Refractivity: 102.354 cm^3
• Polarizability: 31.307045 Å^3
• Polar Surface Area: 60.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.71
• LOG S: -2.68
• Polar Surface Area: 60.9 Å^2
• Rotatable Bonds: 2