[2-(4,6-dimethylpyrimidin-2-yl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 640157
• Molecular Formular: C22H28N6O2
• Molecular Mass: 408.49672
• Monoisotopic Mass: 408.22737417
• SMILES: c1(nc2n(c1CNCCc1nc(cc(n1)C)C)cccc2C)C(=O)N1CCOCC1
• Canonical SMILES: Cc1cc(C)nc(n1)CCNCc1c(nc2n1cccc2C)C(=O)N1CCOCC1
• InChI: InChI=1S/C22H28N6O2/c1-15-5-4-8-28-18(14-23-7-6-19-24-16(2)13-17(3)25-19)20(26-21(15)28)22(29)27-9-11-30-12-10-27/h4-5,8,13,23H,6-7,9-12,14H2,1-3H3
• InChIKey: PEHHXGUIFOSXSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4,6-dimethylpyrimidin-2-yl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [2-(4,6-dimethylpyrimidin-2-yl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 2-(4,6-dimethyl-2-pyrimidinyl)-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.6937057
• LogD (pH = 7.4): 0.049151927
• Log P: 1.0422989
• Molar Refractivity: 116.3474 cm^3
• Polarizability: 43.53656 Å^3
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.69
• LOG S: -4.08
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 6