N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-[3-oxo-1-(propan-2-yl)piperazin-2-yl]acetamide

• ChemBase ID: 517278
• Molecular Formular: C16H25N5O2
• Molecular Mass: 319.402
• Monoisotopic Mass: 319.20082507
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CC1N(C(C)C)CCNC1=O
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CC1C(=O)NCCN1C(C)C
• InChI: InChI=1S/C16H25N5O2/c1-11(2)20-8-6-17-16(23)12(20)9-15(22)19-14-10-18-13-5-3-4-7-21(13)14/h10-12H,3-9H2,1-2H3,(H,17,23)(H,19,22)
• InChIKey: IBXROHTZWKAFCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-[3-oxo-1-(propan-2-yl)piperazin-2-yl]acetamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(1-isopropyl-3-oxopiperazin-2-yl)acetamide
• Synonyms: 2-(1-isopropyl-3-oxopiperazin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.565968
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9861163
• LogD (pH = 7.4): -0.096617535
• Log P: 0.0371319
• Molar Refractivity: 87.8384 cm^3
• Polarizability: 33.432205 Å^3
• Polar Surface Area: 79.26 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: -0.49
• LOG S: -2.42
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4