1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine

• ChemBase ID: 523865
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: n12c(nnc1cccc2)C1CCN(Cc2n(ccn2)CCOC)CC1
• Canonical SMILES: COCCn1ccnc1CN1CCC(CC1)c1nnc2n1cccc2
• InChI: InChI=1S/C18H24N6O/c1-25-13-12-23-11-7-19-17(23)14-22-9-5-15(6-10-22)18-21-20-16-4-2-3-8-24(16)18/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3
• InChIKey: BNDLAGZAILQKBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
• IUPAC Traditional name: 1-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}-4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
• Synonyms: 3-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-4-yl)[1,2,4]triazolo[4,3-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3127367
• LogD (pH = 7.4): 0.0647529
• Log P: 0.26465842
• Molar Refractivity: 99.1542 cm^3
• Polarizability: 36.71978 Å^3
• Polar Surface Area: 60.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.33
• LOG S: -1.81
• Polar Surface Area: 60.48 Å^2
• Rotatable Bonds: 6