1-({2-[benzyl(methyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl}methyl)piperidine-4-carboxamide

• ChemBase ID: 864071
• Molecular Formular: C23H27N5O2
• Molecular Mass: 405.49278
• Monoisotopic Mass: 405.21647513
• SMILES: c1(c(n2c(n1)cccc2)CN1CCC(C(=O)N)CC1)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: NC(=O)C1CCN(CC1)Cc1c(nc2n1cccc2)C(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C23H27N5O2/c1-26(15-17-7-3-2-4-8-17)23(30)21-19(28-12-6-5-9-20(28)25-21)16-27-13-10-18(11-14-27)22(24)29/h2-9,12,18H,10-11,13-16H2,1H3,(H2,24,29)
• InChIKey: ZQVCPDHUAZTYKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2-[benzyl(methyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl}methyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-({2-[benzyl(methyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl}methyl)piperidine-4-carboxamide
• Synonyms: 3-{[4-(aminocarbonyl)-1-piperidinyl]methyl}-N-benzyl-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.763233
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9434969
• LogD (pH = 7.4): 0.7780743
• Log P: 1.2954313
• Molar Refractivity: 117.6731 cm^3
• Polarizability: 44.29606 Å^3
• Polar Surface Area: 83.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.79
• LOG S: -2.26
• Polar Surface Area: 83.94 Å^2
• Rotatable Bonds: 6