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

• ChemBase ID: 586331
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: n12c(nc(c1)CN1CC(c3n(ccn3)CCOC)CCC1)ccc(c2)C
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)Cc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C20H27N5O/c1-16-5-6-19-22-18(15-25(19)12-16)14-23-8-3-4-17(13-23)20-21-7-9-24(20)10-11-26-2/h5-7,9,12,15,17H,3-4,8,10-11,13-14H2,1-2H3
• InChIKey: CDALTLCEIPBDHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidine
• Synonyms: 2-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}methyl)-6-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8634288
• LogD (pH = 7.4): 1.1597352
• Log P: 1.9027444
• Molar Refractivity: 103.976 cm^3
• Polarizability: 39.357716 Å^3
• Polar Surface Area: 47.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.6
• LOG S: -2.14
• Polar Surface Area: 47.59 Å^2
• Rotatable Bonds: 6