[2-(1-methyl-1H-pyrazol-4-yl)ethyl]({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 577659
• Molecular Formular: C21H28N6O
• Molecular Mass: 380.48662
• Monoisotopic Mass: 380.23245955
• SMILES: c1(nc2n(c1CNCCc1cn(nc1)C)cccc2C)C(=O)N1CCCCC1
• Canonical SMILES: Cn1ncc(c1)CCNCc1c(nc2n1cccc2C)C(=O)N1CCCCC1
• InChI: InChI=1S/C21H28N6O/c1-16-7-6-12-27-18(14-22-9-8-17-13-23-25(2)15-17)19(24-20(16)27)21(28)26-10-4-3-5-11-26/h6-7,12-13,15,22H,3-5,8-11,14H2,1-2H3
• InChIKey: KJANBMWQBAEDJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1-methyl-1H-pyrazol-4-yl)ethyl]({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: {[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[2-(1-methylpyrazol-4-yl)ethyl]amine
• Synonyms: N-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-(1-methyl-1H-pyrazol-4-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1862115
• LogD (pH = 7.4): 0.42438522
• Log P: 1.726524
• Molar Refractivity: 123.0159 cm^3
• Polarizability: 41.504967 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: 1.06
• LOG S: -4.5
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 6