{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[2-(1H-pyrazol-1-yl)ethyl]amine

• ChemBase ID: 512120
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: c1(nc2n(c1CNCCn1nccc1)cccc2C)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCn1cccn1)cccc2C)N1CCCCC1
• InChI: InChI=1S/C20H26N6O/c1-16-7-5-13-26-17(15-21-9-14-25-12-6-8-22-25)18(23-19(16)26)20(27)24-10-3-2-4-11-24/h5-8,12-13,21H,2-4,9-11,14-15H2,1H3
• InChIKey: LPHSUKLKLGWONH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[2-(1H-pyrazol-1-yl)ethyl]amine
• IUPAC Traditional name: {[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[2-(pyrazol-1-yl)ethyl]amine
• Synonyms: N-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.95410186
• LogD (pH = 7.4): 0.7810541
• Log P: 1.5151106
• Molar Refractivity: 117.7373 cm^3
• Polarizability: 39.743134 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.42
• LOG S: -3.94
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 6