4-(1H-imidazol-2-yl)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine

• ChemBase ID: 526894
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCC(c2ncc[nH]2)CC1
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCC(CC1)c1ncc[nH]1
• InChI: InChI=1S/C16H17N5O/c22-16(13-11-19-21-8-2-1-3-14(13)21)20-9-4-12(5-10-20)15-17-6-7-18-15/h1-3,6-8,11-12H,4-5,9-10H2,(H,17,18)
• InChIKey: JRAJCKBMPPWUKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-imidazol-2-yl)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 4-(1H-imidazol-2-yl)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.896138
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.30720598
• LogD (pH = 7.4): 1.0302253
• Log P: 1.0754724
• Molar Refractivity: 94.0414 cm^3
• Polarizability: 31.677322 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: -0.2
• LOG S: -2.49
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 2