4-(5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl)-1-methylpiperidine

• ChemBase ID: 402047
• Molecular Formular: C18H23ClN6O
• Molecular Mass: 374.86782
• Monoisotopic Mass: 374.16218707
• SMILES: c1(c2nc3n(c2)cc(cc3)Cl)n(nc(n1)CCOC)C1CCN(CC1)C
• Canonical SMILES: COCCc1nn(c(n1)c1cn2c(n1)ccc(c2)Cl)C1CCN(CC1)C
• InChI: InChI=1S/C18H23ClN6O/c1-23-8-5-14(6-9-23)25-18(21-16(22-25)7-10-26-2)15-12-24-11-13(19)3-4-17(24)20-15/h3-4,11-12,14H,5-10H2,1-2H3
• InChIKey: KPJYFYKRGAIOOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl)-1-methylpiperidine
• IUPAC Traditional name: 4-(5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-3-(2-methoxyethyl)-1,2,4-triazol-1-yl)-1-methylpiperidine
• Synonyms: 6-chloro-2-[3-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1426535
• LogD (pH = 7.4): 0.60328317
• Log P: 2.1514628
• Molar Refractivity: 124.7766 cm^3
• Polarizability: 39.28538 Å^3
• Polar Surface Area: 60.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.63
• LOG S: -3.17
• Polar Surface Area: 60.48 Å^2
• Rotatable Bonds: 5