1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-4-(furan-2-carbonyl)piperazine

• ChemBase ID: 513455
• Molecular Formular: C17H15ClN4O3
• Molecular Mass: 358.779
• Monoisotopic Mass: 358.08326804
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1CCN(C(=O)c2occc2)CC1
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)N1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C17H15ClN4O3/c18-12-3-4-15-19-13(11-22(15)10-12)16(23)20-5-7-21(8-6-20)17(24)14-2-1-9-25-14/h1-4,9-11H,5-8H2
• InChIKey: CJDNBAJSQRLBPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-4-(furan-2-carbonyl)piperazine
• IUPAC Traditional name: 1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-4-(furan-2-carbonyl)piperazine
• Synonyms: 6-chloro-2-{[4-(2-furoyl)-1-piperazinyl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.24
• LOG S: -3.45
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 2

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.0316535
• LogD (pH = 7.4): 1.0358185
• Log P: 1.0358719
• Molar Refractivity: 92.6237 cm^3
• Polarizability: 34.06562 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3