N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(1H-pyrrol-1-yl)pentanamide

• ChemBase ID: 676285
• Molecular Formular: C16H22N4O
• Molecular Mass: 286.37208
• Monoisotopic Mass: 286.17936134
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(n1cccc1)CCC
• Canonical SMILES: CCCC(n1cccc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H22N4O/c1-2-7-13(19-9-5-6-10-19)16(21)18-15-12-17-14-8-3-4-11-20(14)15/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,18,21)
• InChIKey: IMGDSTUHKCUZES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(1H-pyrrol-1-yl)pentanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(pyrrol-1-yl)pentanamide
• Synonyms: 2-(1H-pyrrol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.253069
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0431058
• LogD (pH = 7.4): 2.6847594
• Log P: 2.7140799
• Molar Refractivity: 82.7361 cm^3
• Polarizability: 31.329144 Å^3
• Polar Surface Area: 51.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.6
• LOG S: -3.51
• Polar Surface Area: 51.85 Å^2
• Rotatable Bonds: 5