7-(2-methoxyethyl)-2-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 788718
• Molecular Formular: C17H22N6O3
• Molecular Mass: 358.39498
• Monoisotopic Mass: 358.17533859
• SMILES: n12c(nnn1)ccc(C(=O)N1CC3(C(=O)N(CCC3)CCOC)CC1)c2
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1ccc2n(c1)nnn2
• InChI: InChI=1S/C17H22N6O3/c1-26-10-9-21-7-2-5-17(16(21)25)6-8-22(12-17)15(24)13-3-4-14-18-19-20-23(14)11-13/h3-4,11H,2,5-10,12H2,1H3
• InChIKey: ZFZZOOFAAFZOJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-(tetrazolo[1,5-a]pyridin-6-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.0058581494
• LogD (pH = 7.4): 0.0058585424
• Log P: 0.0058585475
• Molar Refractivity: 106.679 cm^3
• Polarizability: 35.17672 Å^3
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.39
• LOG S: -1.94
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 4