4-(1H-imidazol-2-yl)-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine

• ChemBase ID: 779030
• Molecular Formular: C14H15N7O
• Molecular Mass: 297.3152
• Monoisotopic Mass: 297.13380814
• SMILES: c12n(nnn1)ccc(C(=O)N1CCC(c3ncc[nH]3)CC1)c2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)N1CCC(CC1)c1ncc[nH]1
• InChI: InChI=1S/C14H15N7O/c22-14(11-3-8-21-12(9-11)17-18-19-21)20-6-1-10(2-7-20)13-15-4-5-16-13/h3-5,8-10H,1-2,6-7H2,(H,15,16)
• InChIKey: KDLURXSJGJCJPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-imidazol-2-yl)-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• IUPAC Traditional name: 4-(1H-imidazol-2-yl)-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• Synonyms: 7-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}tetrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.896138
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.39303392
• LogD (pH = 7.4): 0.32997504
• Log P: 0.3752219
• Molar Refractivity: 92.2143 cm^3
• Polarizability: 29.321577 Å^3
• Polar Surface Area: 92.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.57
• LOG S: -1.34
• Polar Surface Area: 92.07 Å^2
• Rotatable Bonds: 2