4-{3-[(3-cyclohexylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carbonyl}morpholine

• ChemBase ID: 501302
• Molecular Formular: C23H32N4O2
• Molecular Mass: 396.52578
• Monoisotopic Mass: 396.25252628
• SMILES: c1(c(n2c(n1)cccc2)CN1CC(CC1)C1CCCCC1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCC(C1)C1CCCCC1)cccc2)N1CCOCC1
• InChI: InChI=1S/C23H32N4O2/c28-23(26-12-14-29-15-13-26)22-20(27-10-5-4-8-21(27)24-22)17-25-11-9-19(16-25)18-6-2-1-3-7-18/h4-5,8,10,18-19H,1-3,6-7,9,11-17H2
• InChIKey: ZBHWJKNLZRAJHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[(3-cyclohexylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carbonyl}morpholine
• IUPAC Traditional name: 4-{3-[(3-cyclohexylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carbonyl}morpholine
• Synonyms: 3-[(3-cyclohexyl-1-pyrrolidinyl)methyl]-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6229967
• LogD (pH = 7.4): 1.0559258
• Log P: 2.4586277
• Molar Refractivity: 115.0939 cm^3
• Polarizability: 43.78017 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.2
• LOG S: -3.31
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4