2-methyl-4-phenyl-9-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 649739
• Molecular Formular: C22H26N6O
• Molecular Mass: 390.48144
• Monoisotopic Mass: 390.21680948
• SMILES: c12n(nnn1)ccc(C(=O)N1CCC3(CC(CN(C3)C)c3ccccc3)CC1)c2
• Canonical SMILES: CN1CC(CC2(C1)CCN(CC2)C(=O)c1ccn2c(c1)nnn2)c1ccccc1
• InChI: InChI=1S/C22H26N6O/c1-26-15-19(17-5-3-2-4-6-17)14-22(16-26)8-11-27(12-9-22)21(29)18-7-10-28-20(13-18)23-24-25-28/h2-7,10,13,19H,8-9,11-12,14-16H2,1H3
• InChIKey: FZTCNLSMXKQDOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-phenyl-9-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-methyl-4-phenyl-9-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,9-diazaspiro[5.5]undecane
• Synonyms: 2-methyl-4-phenyl-9-(tetrazolo[1,5-a]pyridin-7-ylcarbonyl)-2,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.91206366
• LogD (pH = 7.4): 0.46937487
• Log P: 2.4361453
• Molar Refractivity: 125.1258 cm^3
• Polarizability: 42.36977 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.37
• LOG S: -3.22
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 2