N-[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 679426
• Molecular Formular: C15H19N7O
• Molecular Mass: 313.35766
• Monoisotopic Mass: 313.16510826
• SMILES: c12n(nnn1)ccc(c2)C(=O)NC(Cn1cncc1)C(C)(C)C
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)NC(C(C)(C)C)Cn1cncc1
• InChI: InChI=1S/C15H19N7O/c1-15(2,3)12(9-21-7-5-16-10-21)17-14(23)11-4-6-22-13(8-11)18-19-20-22/h4-8,10,12H,9H2,1-3H3,(H,17,23)
• InChIKey: BCNZSNIOUJDTTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[1-(imidazol-1-yl)-3,3-dimethylbutan-2-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[1-(1H-imidazol-1-ylmethyl)-2,2-dimethylpropyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.533445
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.93479997
• LogD (pH = 7.4): 1.3991708
• Log P: 1.466247
• Molar Refractivity: 97.8789 cm^3
• Polarizability: 31.867954 Å^3
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.41
• LOG S: -1.83
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5