1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-4-(pyridin-4-yl)piperazine

• ChemBase ID: 521372
• Molecular Formular: C18H19N5O
• Molecular Mass: 321.37636
• Monoisotopic Mass: 321.15896025
• SMILES: c1(C(=O)N2CCN(c3ccncc3)CC2)cn2c(nc(c2)C)cc1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)N1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C18H19N5O/c1-14-12-23-13-15(2-3-17(23)20-14)18(24)22-10-8-21(9-11-22)16-4-6-19-7-5-16/h2-7,12-13H,8-11H2,1H3
• InChIKey: PMHLDNQSVCIMJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-4-(pyridin-4-yl)piperazine
• IUPAC Traditional name: 1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-4-(pyridin-4-yl)piperazine
• Synonyms: 2-methyl-6-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.92355156
• LogD (pH = 7.4): -0.14575154
• Log P: 0.7094794
• Molar Refractivity: 93.7914 cm^3
• Polarizability: 34.357464 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.29
• LOG S: -3.1
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2