2-({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 622350
• Molecular Formular: C20H29ClN4O
• Molecular Mass: 376.92346
• Monoisotopic Mass: 376.20298925
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN1CC2(CN(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1c(C)nc2n1cc(Cl)cc2
• InChI: InChI=1S/C20H29ClN4O/c1-16-18(25-12-17(21)4-5-19(25)22-16)13-24-9-7-20(15-24)6-3-8-23(14-20)10-11-26-2/h4-5,12H,3,6-11,13-15H2,1-2H3
• InChIKey: QKBXNNLXYRSJBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9035988
• LogD (pH = 7.4): -0.34405425
• Log P: 1.8571689
• Molar Refractivity: 107.578 cm^3
• Polarizability: 41.307293 Å^3
• Polar Surface Area: 33.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.1
• LOG S: -1.21
• Polar Surface Area: 33.01 Å^2
• Rotatable Bonds: 4