2-cyclopropyl-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 628188
• Molecular Formular: C21H28N4O
• Molecular Mass: 352.47322
• Monoisotopic Mass: 352.22631154
• SMILES: c12n(cc(n1)CN1CC3(CN(C(=O)CC3)C3CC3)CCC1)cccc2C
• Canonical SMILES: O=C1CCC2(CN1C1CC1)CCCN(C2)Cc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C21H28N4O/c1-16-4-2-11-24-13-17(22-20(16)24)12-23-10-3-8-21(14-23)9-7-19(26)25(15-21)18-5-6-18/h2,4,11,13,18H,3,5-10,12,14-15H2,1H3
• InChIKey: NRIWBVSRLIBZLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-8-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.323292
• LogD (pH = 7.4): 1.3407488
• Log P: 1.8018548
• Molar Refractivity: 103.2174 cm^3
• Polarizability: 39.53551 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.04
• LOG S: -3.51
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3