[(4-ethylphenyl)methyl](methyl){[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

• ChemBase ID: 395599
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(Cc1ccc(cc1)CC)C)C(=O)N1CCOCC1
• Canonical SMILES: CCc1ccc(cc1)CN(Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C24H30N4O2/c1-4-19-7-9-20(10-8-19)16-26(3)17-21-22(24(29)27-12-14-30-15-13-27)25-23-18(2)6-5-11-28(21)23/h5-11H,4,12-17H2,1-3H3
• InChIKey: SKYWFGDJEMEXFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethylphenyl)methyl](methyl){[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• IUPAC Traditional name: [(4-ethylphenyl)methyl](methyl){[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• Synonyms: (4-ethylbenzyl)methyl{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 0
• Log P: 3.31
• LOG S: -3.0
• Polar Surface Area: 50.08 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1227925
• LogD (pH = 7.4): 2.8217587
• Log P: 3.282174
• Molar Refractivity: 121.2269 cm^3
• Polarizability: 45.465645 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6