1-[(3,5-difluorophenyl)methyl]-4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazine

• ChemBase ID: 822213
• Molecular Formular: C19H18F2N4O
• Molecular Mass: 356.3692264
• Monoisotopic Mass: 356.14486766
• SMILES: c1(C(=O)N2CCN(Cc3cc(cc(c3)F)F)CC2)cn2c(ncc2)cc1
• Canonical SMILES: Fc1cc(CN2CCN(CC2)C(=O)c2ccc3n(c2)ccn3)cc(c1)F
• InChI: InChI=1S/C19H18F2N4O/c20-16-9-14(10-17(21)11-16)12-23-5-7-24(8-6-23)19(26)15-1-2-18-22-3-4-25(18)13-15/h1-4,9-11,13H,5-8,12H2
• InChIKey: XBESRMLCSCYWCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3,5-difluorophenyl)methyl]-4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazine
• IUPAC Traditional name: 1-[(3,5-difluorophenyl)methyl]-4-{imidazo[1,2-a]pyridine-6-carbonyl}piperazine
• Synonyms: 6-{[4-(3,5-difluorobenzyl)piperazin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0173467
• LogD (pH = 7.4): 1.8847009
• Log P: 1.9145384
• Molar Refractivity: 95.9037 cm^3
• Polarizability: 35.090504 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.21
• LOG S: -2.83
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3