3-fluoro-4-{4-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine

• ChemBase ID: 524949
• Molecular Formular: C19H20FN5
• Molecular Mass: 337.3940032
• Monoisotopic Mass: 337.17027389
• SMILES: n1(c(ncc1)C1CCN(c2c(F)cncc2)CC1)Cc1cnccc1
• Canonical SMILES: Fc1cnccc1N1CCC(CC1)c1nccn1Cc1cccnc1
• InChI: InChI=1S/C19H20FN5/c20-17-13-22-7-3-18(17)24-9-4-16(5-10-24)19-23-8-11-25(19)14-15-2-1-6-21-12-15/h1-3,6-8,11-13,16H,4-5,9-10,14H2
• InChIKey: QQODKFNOGZBKOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-{4-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine
• IUPAC Traditional name: 3-fluoro-4-{4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyridine
• Synonyms: 3-fluoro-4-{4-[1-(3-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.21759446
• LogD (pH = 7.4): 1.845428
• Log P: 2.011093
• Molar Refractivity: 95.0902 cm^3
• Polarizability: 35.49237 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.55
• LOG S: -1.68
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4