3-{[(1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)oxy]methyl}pyridine

• ChemBase ID: 643605
• Molecular Formular: C20H21FN4O2
• Molecular Mass: 368.4047432
• Monoisotopic Mass: 368.16485415
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)N1CCC(CC1)OCc1cnccc1
• Canonical SMILES: O=C(c1nc2n(c1F)c(C)ccc2)N1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C20H21FN4O2/c1-14-4-2-6-17-23-18(19(21)25(14)17)20(26)24-10-7-16(8-11-24)27-13-15-5-3-9-22-12-15/h2-6,9,12,16H,7-8,10-11,13H2,1H3
• InChIKey: LYJCCNBMGAALNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)oxy]methyl}pyridine
• IUPAC Traditional name: 3-{[(1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)oxy]methyl}pyridine
• Synonyms: 3-fluoro-5-methyl-2-{[4-(3-pyridinylmethoxy)-1-piperidinyl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0821768
• LogD (pH = 7.4): 1.14158
• Log P: 1.1424063
• Molar Refractivity: 100.688 cm^3
• Polarizability: 37.294415 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.06
• LOG S: -1.49
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4