methyl N-[1-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)ethyl]carbamate

• ChemBase ID: 636144
• Molecular Formular: C12H18N4O3
• Molecular Mass: 266.29632
• Monoisotopic Mass: 266.13789046
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(NC(=O)OC)C
• Canonical SMILES: COC(=O)NC(C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C12H18N4O3/c1-8(14-12(18)19-2)11(17)15-10-7-13-9-5-3-4-6-16(9)10/h7-8H,3-6H2,1-2H3,(H,14,18)(H,15,17)
• InChIKey: DJTMGCAHENCBGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-[1-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)ethyl]carbamate
• IUPAC Traditional name: methyl N-[1-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)ethyl]carbamate
• Synonyms: methyl [1-methyl-2-oxo-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylamino)ethyl]carbamate (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.005387
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3899124
• LogD (pH = 7.4): 0.25331515
• Log P: 0.28286174
• Molar Refractivity: 68.8838 cm^3
• Polarizability: 26.026577 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.43
• LOG S: -1.51
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 4