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

• ChemBase ID: 445481
• Molecular Formular: C21H31N5O3
• Molecular Mass: 401.50254
• Monoisotopic Mass: 401.24268988
• SMILES: c1(nc2n(c1CNCC(N1CCOCC1)(C)C)cccc2)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCC(N1CCOCC1)(C)C)cccc2)N1CCOCC1
• InChI: InChI=1S/C21H31N5O3/c1-21(2,25-9-13-29-14-10-25)16-22-15-17-19(20(27)24-7-11-28-12-8-24)23-18-5-3-4-6-26(17)18/h3-6,22H,7-16H2,1-2H3
• InChIKey: QGEMUJGHXJAEOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-methyl-2-(morpholin-4-yl)propyl]({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [2-methyl-2-(morpholin-4-yl)propyl]({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 2-methyl-2-(4-morpholinyl)-N-{[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.8040519
• LogD (pH = 7.4): -1.1012669
• Log P: 0.20053744
• Molar Refractivity: 112.7868 cm^3
• Polarizability: 43.058136 Å^3
• Polar Surface Area: 71.34 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: 0.62
• LOG S: -1.18
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 6