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

• ChemBase ID: 832241
• Molecular Formular: C24H28N4O2
• Molecular Mass: 404.50472
• Monoisotopic Mass: 404.22122616
• SMILES: c1(c(n2c(n1)cccc2)CN(CC1CC1)Cc1ccccc1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CN(Cc1ccccc1)CC1CC1)cccc2)N1CCOCC1
• InChI: InChI=1S/C24H28N4O2/c29-24(27-12-14-30-15-13-27)23-21(28-11-5-4-8-22(28)25-23)18-26(17-20-9-10-20)16-19-6-2-1-3-7-19/h1-8,11,20H,9-10,12-18H2
• InChIKey: RQXXFFBQQXRGIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(cyclopropylmethyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• IUPAC Traditional name: benzyl(cyclopropylmethyl){[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• Synonyms: N-benzyl-1-cyclopropyl-N-{[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.15337834
• LogD (pH = 7.4): 1.6167285
• Log P: 2.59134
• Molar Refractivity: 118.4855 cm^3
• Polarizability: 44.892242 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.75
• LOG S: -2.28
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 7