3-({[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-4-yl]oxy}methyl)pyridine

• ChemBase ID: 623659
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c1(nc(n2c1cccc2)C)CN1CCC(CC1)OCc1cnccc1
• Canonical SMILES: Cc1nc(c2n1cccc2)CN1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C20H24N4O/c1-16-22-19(20-6-2-3-10-24(16)20)14-23-11-7-18(8-12-23)25-15-17-5-4-9-21-13-17/h2-6,9-10,13,18H,7-8,11-12,14-15H2,1H3
• InChIKey: RWKKVAJPBVQILL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-4-yl]oxy}methyl)pyridine
• IUPAC Traditional name: 3-({[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-4-yl]oxy}methyl)pyridine
• Synonyms: 3-methyl-1-{[4-(3-pyridinylmethoxy)-1-piperidinyl]methyl}imidazo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0861233
• LogD (pH = 7.4): 0.30507144
• Log P: 1.0253259
• Molar Refractivity: 99.7291 cm^3
• Polarizability: 38.80451 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.62
• LOG S: -0.73
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5