2-(3-methylbut-2-en-1-yl)-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 738056
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c12n(nnn1)ccc(C(=O)N1CCC3(CN(C(=O)C3)CC=C(C)C)CC1)c2
• Canonical SMILES: CC(=CCN1CC2(CC1=O)CCN(CC2)C(=O)c1ccn2c(c1)nnn2)C
• InChI: InChI=1S/C19H24N6O2/c1-14(2)3-7-24-13-19(12-17(24)26)5-9-23(10-6-19)18(27)15-4-8-25-16(11-15)20-21-22-25/h3-4,8,11H,5-7,9-10,12-13H2,1-2H3
• InChIKey: ZRYWXQQCNLJZIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbut-2-en-1-yl)-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methylbut-2-en-1-yl)-8-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methyl-2-buten-1-yl)-8-(tetrazolo[1,5-a]pyridin-7-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9021453
• LogD (pH = 7.4): 0.9021458
• Log P: 0.9021458
• Molar Refractivity: 114.7019 cm^3
• Polarizability: 37.860706 Å^3
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.41
• LOG S: -2.24
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 3