2-(3-methylbut-2-en-1-yl)-8-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 786668
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: c12nc(cn1ccc(c2)C)CN1CCC2(CN(C(=O)C2)CC=C(C)C)CC1
• Canonical SMILES: CC(=CCN1CC2(CC1=O)CCN(CC2)Cc1cn2c(n1)cc(cc2)C)C
• InChI: InChI=1S/C22H30N4O/c1-17(2)4-8-26-16-22(13-21(26)27)6-10-24(11-7-22)14-19-15-25-9-5-18(3)12-20(25)23-19/h4-5,9,12,15H,6-8,10-11,13-14,16H2,1-3H3
• InChIKey: KXXHJVLEWMMZGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbut-2-en-1-yl)-8-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methylbut-2-en-1-yl)-8-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methylbut-2-en-1-yl)-8-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.10323493
• LogD (pH = 7.4): 1.5916785
• Log P: 2.0970602
• Molar Refractivity: 110.6774 cm^3
• Polarizability: 41.86989 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.22
• LOG S: -4.62
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4