N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2-[3-oxo-1-(propan-2-yl)piperazin-2-yl]acetamide

• ChemBase ID: 491626
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: n12c(ncc1CCNC(=O)CC1N(C(C)C)CCNC1=O)cccc2
• Canonical SMILES: O=C(CC1C(=O)NCCN1C(C)C)NCCc1cnc2n1cccc2
• InChI: InChI=1S/C18H25N5O2/c1-13(2)22-10-8-20-18(25)15(22)11-17(24)19-7-6-14-12-21-16-5-3-4-9-23(14)16/h3-5,9,12-13,15H,6-8,10-11H2,1-2H3,(H,19,24)(H,20,25)
• InChIKey: MOIXTUCWXBRPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2-[3-oxo-1-(propan-2-yl)piperazin-2-yl]acetamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2-(1-isopropyl-3-oxopiperazin-2-yl)acetamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.147776
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7999413
• LogD (pH = 7.4): -0.690628
• Log P: -0.47883236
• Molar Refractivity: 96.4721 cm^3
• Polarizability: 36.765835 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.13
• LOG S: -2.9
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 6