N-[3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butyl]pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 413447
• Molecular Formular: C16H20N6O
• Molecular Mass: 312.3696
• Monoisotopic Mass: 312.16985929
• SMILES: c1(c2n(nc1)cccc2)C(=O)NC(c1ncnn1C)CC(C)C
• Canonical SMILES: CC(CC(c1ncnn1C)NC(=O)c1cnn2c1cccc2)C
• InChI: InChI=1S/C16H20N6O/c1-11(2)8-13(15-17-10-19-21(15)3)20-16(23)12-9-18-22-7-5-4-6-14(12)22/h4-7,9-11,13H,8H2,1-3H3,(H,20,23)
• InChIKey: AEMKZOYTJPIBRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.63304
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.939302
• LogD (pH = 7.4): 1.9393508
• Log P: 1.9393537
• Molar Refractivity: 110.1376 cm^3
• Polarizability: 33.282776 Å^3
• Polar Surface Area: 77.11 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: 1.39
• LOG S: -2.67
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5