3-{imidazo[1,2-a]pyridin-2-yl}-1-{3-[methyl(2-phenylethyl)amino]piperidin-1-yl}propan-1-one

• ChemBase ID: 502923
• Molecular Formular: C24H30N4O
• Molecular Mass: 390.5212
• Monoisotopic Mass: 390.2419616
• SMILES: n12c(nc(c1)CCC(=O)N1CC(N(CCc3ccccc3)C)CCC1)cccc2
• Canonical SMILES: CN(C1CCCN(C1)C(=O)CCc1nc2n(c1)cccc2)CCc1ccccc1
• InChI: InChI=1S/C24H30N4O/c1-26(17-14-20-8-3-2-4-9-20)22-10-7-16-28(19-22)24(29)13-12-21-18-27-15-6-5-11-23(27)25-21/h2-6,8-9,11,15,18,22H,7,10,12-14,16-17,19H2,1H3
• InChIKey: FCHOPHDQSROZBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-{3-[methyl(2-phenylethyl)amino]piperidin-1-yl}propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-{3-[methyl(2-phenylethyl)amino]piperidin-1-yl}propan-1-one
• Synonyms: 1-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-N-methyl-N-(2-phenylethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0745789
• LogD (pH = 7.4): 1.24183
• Log P: 2.8535352
• Molar Refractivity: 117.6347 cm^3
• Polarizability: 45.08061 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.08
• LOG S: -3.96
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 7