2-[2-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-3-yl)-1H-imidazol-1-yl]acetamide

• ChemBase ID: 586125
• Molecular Formular: C18H20N6O2
• Molecular Mass: 352.3904
• Monoisotopic Mass: 352.16477391
• SMILES: c1(C(=O)N2CC(c3n(CC(=O)N)ccn3)CCC2)c2n(nc1)cccc2
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C18H20N6O2/c19-16(25)12-22-9-6-20-17(22)13-4-3-7-23(11-13)18(26)14-10-21-24-8-2-1-5-15(14)24/h1-2,5-6,8-10,13H,3-4,7,11-12H2,(H2,19,25)
• InChIKey: UOFUDWWSTVFXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-3-yl)-1H-imidazol-1-yl]acetamide
• IUPAC Traditional name: 2-[2-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-3-yl)imidazol-1-yl]acetamide
• Synonyms: 2-{2-[1-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-3-piperidinyl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.481596
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.50339466
• LogD (pH = 7.4): 0.101469964
• Log P: 0.12609652
• Molar Refractivity: 106.6909 cm^3
• Polarizability: 36.587994 Å^3
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.23
• LOG S: -2.03
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 4