2-butyl-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 652004
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: c12n(nnn1)ccc(C(=O)N1CC3(CN(C(=O)CC3)CCCC)CCC1)c2
• Canonical SMILES: CCCCN1CC2(CCCN(C2)C(=O)c2ccn3c(c2)nnn3)CCC1=O
• InChI: InChI=1S/C19H26N6O2/c1-2-3-9-23-13-19(8-5-17(23)26)7-4-10-24(14-19)18(27)15-6-11-25-16(12-15)20-21-22-25/h6,11-12H,2-5,7-10,13-14H2,1H3
• InChIKey: OGLPLFLBMKNDIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-butyl-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-butyl-8-(tetrazolo[1,5-a]pyridin-7-ylcarbonyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4652745
• LogD (pH = 7.4): 1.4652748
• Log P: 1.4652748
• Molar Refractivity: 113.9043 cm^3
• Polarizability: 38.10739 Å^3
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.45
• LOG S: -2.29
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 4