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

• ChemBase ID: 549340
• Molecular Formular: C19H20FN5O
• Molecular Mass: 353.3934032
• Monoisotopic Mass: 353.16518851
• SMILES: n12c(nnn1)ccc(C(=O)N1CC(CCc3c(F)cccc3)CCC1)c2
• Canonical SMILES: O=C(c1ccc2n(c1)nnn2)N1CCCC(C1)CCc1ccccc1F
• InChI: InChI=1S/C19H20FN5O/c20-17-6-2-1-5-15(17)8-7-14-4-3-11-24(12-14)19(26)16-9-10-18-21-22-23-25(18)13-16/h1-2,5-6,9-10,13-14H,3-4,7-8,11-12H2
• InChIKey: HVUOJHCSMGOYBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4819071
• LogD (pH = 7.4): 3.4819071
• Log P: 3.4819071
• Molar Refractivity: 109.1496 cm^3
• Polarizability: 35.74353 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: 2.06
• LOG S: -3.54
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 4