7-(3-methoxypropyl)-2-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 611415
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: c1(n2c(nc1C)cccc2)CN1CC2(C(=O)N(CCCOC)CCC2)CC1
• Canonical SMILES: COCCCN1CCCC2(C1=O)CCN(C2)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C21H30N4O2/c1-17-18(25-12-4-3-7-19(25)22-17)15-23-13-9-21(16-23)8-5-10-24(20(21)26)11-6-14-27-2/h3-4,7,12H,5-6,8-11,13-16H2,1-2H3
• InChIKey: OWNWXFISIBRKCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-methoxypropyl)-2-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(3-methoxypropyl)-2-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(3-methoxypropyl)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.7898166
• LogD (pH = 7.4): -1.1574117
• Log P: 0.71721077
• Molar Refractivity: 107.4699 cm^3
• Polarizability: 40.958466 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.69
• LOG S: -3.34
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6