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

• ChemBase ID: 827880
• Molecular Formular: C20H29N5O
• Molecular Mass: 355.47716
• Monoisotopic Mass: 355.23721057
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1CCN(CC1)C)C(=O)N1CCCCC1
• Canonical SMILES: CN1CCN(CC1)Cc1c(nc2n1cccc2C)C(=O)N1CCCCC1
• InChI: InChI=1S/C20H29N5O/c1-16-7-6-10-25-17(15-23-13-11-22(2)12-14-23)18(21-19(16)25)20(26)24-8-4-3-5-9-24/h6-7,10H,3-5,8-9,11-15H2,1-2H3
• InChIKey: GIVSYPNXNKZHCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperazine
• IUPAC Traditional name: 1-methyl-4-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperazine
• Synonyms: 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8623805
• LogD (pH = 7.4): 0.89056534
• Log P: 1.5156971
• Molar Refractivity: 106.0897 cm^3
• Polarizability: 39.739796 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.15
• LOG S: -3.23
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 3