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

• ChemBase ID: 843359
• Molecular Formular: C18H24N6O3
• Molecular Mass: 372.42156
• Monoisotopic Mass: 372.19098866
• SMILES: c12n(nnn1)ccc(C(=O)N1CCC3(CN(C(=O)C3)CCCOC)CC1)c2
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C18H24N6O3/c1-27-10-2-6-23-13-18(12-16(23)25)4-8-22(9-5-18)17(26)14-3-7-24-15(11-14)19-20-21-24/h3,7,11H,2,4-6,8-10,12-13H2,1H3
• InChIKey: IRXHUTANEWYVNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.4461166
• LogD (pH = 7.4): -0.4461161
• Log P: -0.4461161
• Molar Refractivity: 111.4926 cm^3
• Polarizability: 37.006416 Å^3
• Polar Surface Area: 92.93 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: -2.14
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 5