N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 838740
• Molecular Formular: C28H28FN3O3
• Molecular Mass: 473.5386232
• Monoisotopic Mass: 473.21146999
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C28H28FN3O3/c29-25-11-2-1-8-22(25)13-16-35-23-9-5-7-21(17-23)18-32(19-24-10-6-15-34-24)28(33)26-20-31-14-4-3-12-27(31)30-26/h1-5,7-9,11-12,14,17,20,24H,6,10,13,15-16,18-19H2
• InChIKey: DWQCDDKDBXHFLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.5801425
• LogD (pH = 7.4): 4.584563
• Log P: 4.5846195
• Molar Refractivity: 133.3507 cm^3
• Polarizability: 50.26654 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.07
• LOG S: -6.58
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 9