2-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 550102
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: c12n(nnn1)ccc(C(=O)N1CC3(CC1)CNCCC3)c2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)N1CCC2(C1)CCCNC2
• InChI: InChI=1S/C14H18N6O/c21-13(11-2-6-20-12(8-11)16-17-18-20)19-7-4-14(10-19)3-1-5-15-9-14/h2,6,8,15H,1,3-5,7,9-10H2
• InChIKey: XAYRJNOIHQDVTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.9587047
• LogD (pH = 7.4): -2.3439054
• Log P: 0.2656594
• Molar Refractivity: 90.5095 cm^3
• Polarizability: 29.207151 Å^3
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.94
• LOG S: -1.8
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 1