[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine

• ChemBase ID: 539342
• Molecular Formular: C16H20ClN5
• Molecular Mass: 317.8165
• Monoisotopic Mass: 317.14072335
• SMILES: c1(c(n(nc1CC)C)Cl)CN(Cc1n2c(nc1)cccc2)C
• Canonical SMILES: CCc1nn(c(c1CN(Cc1cnc2n1cccc2)C)Cl)C
• InChI: InChI=1S/C16H20ClN5/c1-4-14-13(16(17)21(3)19-14)11-20(2)10-12-9-18-15-7-5-6-8-22(12)15/h5-9H,4,10-11H2,1-3H3
• InChIKey: RLGAVCAEWNWYQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine
• IUPAC Traditional name: [(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine
• Synonyms: 1-(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8397659
• LogD (pH = 7.4): 1.8690081
• Log P: 1.9242418
• Molar Refractivity: 101.8969 cm^3
• Polarizability: 34.001476 Å^3
• Polar Surface Area: 38.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.81
• LOG S: -2.91
• Polar Surface Area: 38.36 Å^2
• Rotatable Bonds: 5