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

• ChemBase ID: 745463
• Molecular Formular: C18H24N6
• Molecular Mass: 324.42336
• Monoisotopic Mass: 324.2062448
• SMILES: c1(n2c(nn1)cccc2)C1CN(Cc2n(ccn2)CCC)CCC1
• Canonical SMILES: CCCn1ccnc1CN1CCCC(C1)c1nnc2n1cccc2
• InChI: InChI=1S/C18H24N6/c1-2-9-23-12-8-19-17(23)14-22-10-5-6-15(13-22)18-21-20-16-7-3-4-11-24(16)18/h3-4,7-8,11-12,15H,2,5-6,9-10,13-14H2,1H3
• InChIKey: KGNQLNOMQLJNPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5010482
• LogD (pH = 7.4): 1.019724
• Log P: 1.3468717
• Molar Refractivity: 97.2293 cm^3
• Polarizability: 36.022007 Å^3
• Polar Surface Area: 51.25 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: 2.6
• LOG S: -2.78
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 5