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

• ChemBase ID: 358587
• Molecular Formular: C16H24N6O
• Molecular Mass: 316.40136
• Monoisotopic Mass: 316.20115942
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NC(c1ncnn1C)CC(C)C
• Canonical SMILES: CC(CC(c1ncnn1C)NC(=O)c1cnn2c1CCCC2)C
• InChI: InChI=1S/C16H24N6O/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/h9-11,13H,4-8H2,1-3H3,(H,20,23)
• InChIKey: KCBHWHWBNUFNLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.87447
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5303167
• LogD (pH = 7.4): 1.5303938
• Log P: 1.5303961
• Molar Refractivity: 111.6642 cm^3
• Polarizability: 32.97248 Å^3
• Polar Surface Area: 77.63 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: 1.36
• LOG S: -2.67
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 5