3-[2-(2,4-difluorophenyl)ethyl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperidine

• ChemBase ID: 731371
• Molecular Formular: C19H19F2N5O
• Molecular Mass: 371.3838664
• Monoisotopic Mass: 371.15576669
• SMILES: n12c(nnn1)ccc(C(=O)N1CC(CCc3c(cc(cc3)F)F)CCC1)c2
• Canonical SMILES: Fc1ccc(c(c1)F)CCC1CCCN(C1)C(=O)c1ccc2n(c1)nnn2
• InChI: InChI=1S/C19H19F2N5O/c20-16-7-5-14(17(21)10-16)4-3-13-2-1-9-25(11-13)19(27)15-6-8-18-22-23-24-26(18)12-15/h5-8,10,12-13H,1-4,9,11H2
• InChIKey: HERWTEZFQKKPAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,4-difluorophenyl)ethyl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperidine
• IUPAC Traditional name: 3-[2-(2,4-difluorophenyl)ethyl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperidine
• Synonyms: 6-({3-[2-(2,4-difluorophenyl)ethyl]-1-piperidinyl}carbonyl)tetrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.624609
• LogD (pH = 7.4): 3.6246092
• Log P: 3.6246092
• Molar Refractivity: 109.366 cm^3
• Polarizability: 35.48385 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.14
• LOG S: -3.73
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 4