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

• ChemBase ID: 525331
• Molecular Formular: C23H33N5O3
• Molecular Mass: 427.53982
• Monoisotopic Mass: 427.25833994
• SMILES: c1(c(n2c(n1)cccc2)CN1CC(CN2CCOCC2)CCC1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCCC(C1)CN1CCOCC1)cccc2)N1CCOCC1
• InChI: InChI=1S/C23H33N5O3/c29-23(27-10-14-31-15-11-27)22-20(28-7-2-1-5-21(28)24-22)18-26-6-3-4-19(17-26)16-25-8-12-30-13-9-25/h1-2,5,7,19H,3-4,6,8-18H2
• InChIKey: WEEBPTLLJALJOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{[3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carbonyl)morpholine
• IUPAC Traditional name: 4-(3-{[3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carbonyl)morpholine
• Synonyms: 2-(4-morpholinylcarbonyl)-3-{[3-(4-morpholinylmethyl)-1-piperidinyl]methyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.363996
• LogD (pH = 7.4): -0.79458696
• Log P: 0.39675277
• Molar Refractivity: 121.1757 cm^3
• Polarizability: 46.010952 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.67
• LOG S: -0.04
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 5