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

• ChemBase ID: 587058
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c1(C(=O)N2CC(c3ncc[nH]3)CCC2)c2n(nc1)cccc2
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCCC(C1)c1ncc[nH]1
• InChI: InChI=1S/C16H17N5O/c22-16(13-10-19-21-9-2-1-5-14(13)21)20-8-3-4-12(11-20)15-17-6-7-18-15/h1-2,5-7,9-10,12H,3-4,8,11H2,(H,17,18)
• InChIKey: GNNHEIDQCLQKSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.868147
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4753499
• LogD (pH = 7.4): 1.1886533
• Log P: 1.2313797
• Molar Refractivity: 93.8874 cm^3
• Polarizability: 31.677233 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.16
• LOG S: -2.53
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 2