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

• ChemBase ID: 485289
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCC(C(=O)N2CCCC2)CC1
• Canonical SMILES: O=C(N1CCCC1)C1CCN(CC1)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C18H22N4O2/c23-17(20-8-3-4-9-20)14-6-11-21(12-7-14)18(24)15-13-19-22-10-2-1-5-16(15)22/h1-2,5,10,13-14H,3-4,6-9,11-12H2
• InChIKey: GPXNSYGOQNOLSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.92048204
• LogD (pH = 7.4): 0.9204929
• Log P: 0.92049307
• Molar Refractivity: 102.3882 cm^3
• Polarizability: 34.9618 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.33
• LOG S: -3.17
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 2