3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]piperidine

• ChemBase ID: 730451
• Molecular Formular: C16H20N6
• Molecular Mass: 296.3702
• Monoisotopic Mass: 296.17494467
• SMILES: n12c(nc(c1)Cn1nnc(c1)C1CNCCC1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)Cn1nnc(c1)C1CCCNC1
• InChI: InChI=1S/C16H20N6/c1-12-4-5-16-18-14(9-21(16)8-12)10-22-11-15(19-20-22)13-3-2-6-17-7-13/h4-5,8-9,11,13,17H,2-3,6-7,10H2,1H3
• InChIKey: SFSXMACYCYNECO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]piperidine
• IUPAC Traditional name: 3-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2,3-triazol-4-yl]piperidine
• Synonyms: 6-methyl-2-[(4-piperidin-3-yl-1H-1,2,3-triazol-1-yl)methyl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4079928
• LogD (pH = 7.4): -0.71356076
• Log P: 1.5167556
• Molar Refractivity: 97.1975 cm^3
• Polarizability: 32.262295 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.31
• LOG S: -1.47
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 3