N-(4-fluorophenyl)-1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-3-amine

• ChemBase ID: 791542
• Molecular Formular: C20H23FN4
• Molecular Mass: 338.4218232
• Monoisotopic Mass: 338.19067498
• SMILES: c12n(cc(n1)CN1CC(Nc3ccc(F)cc3)CCC1)cccc2C
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)Cc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C20H23FN4/c1-15-4-2-11-25-14-19(23-20(15)25)13-24-10-3-5-18(12-24)22-17-8-6-16(21)7-9-17/h2,4,6-9,11,14,18,22H,3,5,10,12-13H2,1H3
• InChIKey: GWEIHXUIQFTLCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1241821
• LogD (pH = 7.4): 2.7654953
• Log P: 3.1786048
• Molar Refractivity: 100.7085 cm^3
• Polarizability: 37.27768 Å^3
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.51
• LOG S: -3.66
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 4