3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine

• ChemBase ID: 450612
• Molecular Formular: C17H21N7O2
• Molecular Mass: 355.39434
• Monoisotopic Mass: 355.17567295
• SMILES: c12n(nnn1)ccc(C(=O)N1CC(c3n(ccn3)CCOC)CCC1)c2
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C17H21N7O2/c1-26-10-9-22-8-5-18-16(22)14-3-2-6-23(12-14)17(25)13-4-7-24-15(11-13)19-20-21-24/h4-5,7-8,11,14H,2-3,6,9-10,12H2,1H3
• InChIKey: NIZJALDGVWBEHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• Synonyms: 7-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)tetrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.04922739
• LogD (pH = 7.4): 0.6800092
• Log P: 0.7078299
• Molar Refractivity: 108.0005 cm^3
• Polarizability: 35.465458 Å^3
• Polar Surface Area: 90.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.27
• LOG S: -2.02
• Polar Surface Area: 90.44 Å^2
• Rotatable Bonds: 5