2-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-azaspiro[4.4]nonane

• ChemBase ID: 500338
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(c(n2c(n1)cccc2)CN1CC2(CC1)CCCC2)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCC3(C1)CCCC3)cccc2)N1CCOCC1
• InChI: InChI=1S/C21H28N4O2/c26-20(24-11-13-27-14-12-24)19-17(25-9-4-1-5-18(25)22-19)15-23-10-8-21(16-23)6-2-3-7-21/h1,4-5,9H,2-3,6-8,10-16H2
• InChIKey: QDRCEKMRERJADW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-azaspiro[4.4]nonane
• IUPAC Traditional name: 2-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-azaspiro[4.4]nonane
• Synonyms: 3-(2-azaspiro[4.4]non-2-ylmethyl)-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1982936
• LogD (pH = 7.4): 0.5565804
• Log P: 1.6604722
• Molar Refractivity: 105.7414 cm^3
• Polarizability: 40.099834 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.92
• LOG S: -2.67
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3