3-[2-(2,6-difluorophenyl)ethyl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine

• ChemBase ID: 615523
• Molecular Formular: C19H19F2N5O
• Molecular Mass: 371.3838664
• Monoisotopic Mass: 371.15576669
• SMILES: c12n(nnn1)ccc(C(=O)N1CC(CCc3c(F)cccc3F)CCC1)c2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)N1CCCC(C1)CCc1c(F)cccc1F
• InChI: InChI=1S/C19H19F2N5O/c20-16-4-1-5-17(21)15(16)7-6-13-3-2-9-25(12-13)19(27)14-8-10-26-18(11-14)22-23-24-26/h1,4-5,8,10-11,13H,2-3,6-7,9,12H2
• InChIKey: CJEDCPYZVXNUNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,6-difluorophenyl)ethyl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• IUPAC Traditional name: 3-[2-(2,6-difluorophenyl)ethyl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• Synonyms: 7-({3-[2-(2,6-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: 35.487545 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