1-(benzenesulfonyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine

• ChemBase ID: 561257
• Molecular Formular: C18H18N4O3S
• Molecular Mass: 370.42552
• Monoisotopic Mass: 370.10996146
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCN(CC1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C18H18N4O3S/c23-18(16-14-19-22-9-5-4-8-17(16)22)20-10-12-21(13-11-20)26(24,25)15-6-2-1-3-7-15/h1-9,14H,10-13H2
• InChIKey: IGCANXUOZAUFSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzenesulfonyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• IUPAC Traditional name: 1-(benzenesulfonyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• Synonyms: 3-{[4-(phenylsulfonyl)-1-piperazinyl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4847436
• LogD (pH = 7.4): 1.4847541
• Log P: 1.4847542
• Molar Refractivity: 108.921 cm^3
• Polarizability: 38.311073 Å^3
• Polar Surface Area: 74.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.07
• LOG S: -2.81
• Polar Surface Area: 74.99 Å^2
• Rotatable Bonds: 2