1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-3-(3-methylphenoxymethyl)piperidine

• ChemBase ID: 494213
• Molecular Formular: C21H22FN3O2
• Molecular Mass: 367.4166832
• Monoisotopic Mass: 367.16960518
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N1CC(COc2cc(ccc2)C)CCC1
• Canonical SMILES: Cc1cccc(c1)OCC1CCCN(C1)C(=O)c1nc2n(c1F)cccc2
• InChI: InChI=1S/C21H22FN3O2/c1-15-6-4-8-17(12-15)27-14-16-7-5-10-24(13-16)21(26)19-20(22)25-11-3-2-9-18(25)23-19/h2-4,6,8-9,11-12,16H,5,7,10,13-14H2,1H3
• InChIKey: NJGZHJRAIAOBKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-3-(3-methylphenoxymethyl)piperidine
• IUPAC Traditional name: 1-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-3-(3-methylphenoxymethyl)piperidine
• Synonyms: 3-fluoro-2-({3-[(3-methylphenoxy)methyl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.142576
• LogD (pH = 7.4): 3.1426475
• Log P: 3.1426482
• Molar Refractivity: 102.3517 cm^3
• Polarizability: 38.156464 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: 2.85
• LOG S: -4.31
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4