N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N,1-dimethyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

• ChemBase ID: 866215
• Molecular Formular: C20H18N8
• Molecular Mass: 370.41052
• Monoisotopic Mass: 370.16544262
• SMILES: c12c(nc(nc1N(Cc1n3c(nc1)cccc3)C)c1cnccc1)n(nc2)C
• Canonical SMILES: CN(c1nc(nc2c1cnn2C)c1cccnc1)Cc1cnc2n1cccc2
• InChI: InChI=1S/C20H18N8/c1-26(13-15-11-22-17-7-3-4-9-28(15)17)19-16-12-23-27(2)20(16)25-18(24-19)14-6-5-8-21-10-14/h3-12H,13H2,1-2H3
• InChIKey: LXOYBQWWAIBQLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N,1-dimethyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N,1-dimethyl-6-(pyridin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethyl-6-pyridin-3-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6668934
• LogD (pH = 7.4): 2.3283634
• Log P: 2.3547566
• Molar Refractivity: 130.2708 cm^3
• Polarizability: 40.70391 Å^3
• Polar Surface Area: 77.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.87
• LOG S: -5.29
• Polar Surface Area: 77.03 Å^2
• Rotatable Bonds: 4