9-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 550238
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: n1c2n(cc1CN1CCC3(CN(C(=O)CC3)CCCOC)CC1)cccc2
• Canonical SMILES: COCCCN1CC2(CCN(CC2)Cc2nc3n(c2)cccc3)CCC1=O
• InChI: InChI=1S/C21H30N4O2/c1-27-14-4-11-25-17-21(7-6-20(25)26)8-12-23(13-9-21)15-18-16-24-10-3-2-5-19(24)22-18/h2-3,5,10,16H,4,6-9,11-15,17H2,1H3
• InChIKey: PXFCQAXDMBFJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-{imidazo[1,2-a]pyridin-2-ylmethyl}-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6285366
• LogD (pH = 7.4): 0.0932393
• Log P: 0.67994565
• Molar Refractivity: 107.0279 cm^3
• Polarizability: 41.03425 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: 1.31
• LOG S: -3.02
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 6