3-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 703446
• Molecular Formular: C16H19N5O2
• Molecular Mass: 313.35436
• Monoisotopic Mass: 313.15387487
• SMILES: N1(C(=O)NC2(C1=O)CCNCC2)Cc1n2c(nc1)c(ccc2)C
• Canonical SMILES: O=C1NC2(C(=O)N1Cc1cnc3n1cccc3C)CCNCC2
• InChI: InChI=1S/C16H19N5O2/c1-11-3-2-8-20-12(9-18-13(11)20)10-21-14(22)16(19-15(21)23)4-6-17-7-5-16/h2-3,8-9,17H,4-7,10H2,1H3,(H,19,23)
• InChIKey: BDHGECNYNLFHFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.429609
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.3886914
• LogD (pH = 7.4): -2.9756842
• Log P: -0.62097055
• Molar Refractivity: 85.5487 cm^3
• Polarizability: 32.294315 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.78
• LOG S: -2.15
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 2