N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}acetamide

• ChemBase ID: 764020
• Molecular Formular: C19H26N8O
• Molecular Mass: 382.46274
• Monoisotopic Mass: 382.22295749
• SMILES: n1(c(nnn1)CN1CCC(CC1)C)CC(=O)NCCc1nc2n(c1)cccc2
• Canonical SMILES: CC1CCN(CC1)Cc1nnnn1CC(=O)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C19H26N8O/c1-15-6-10-25(11-7-15)13-18-22-23-24-27(18)14-19(28)20-8-5-16-12-26-9-3-2-4-17(26)21-16/h2-4,9,12,15H,5-8,10-11,13-14H2,1H3,(H,20,28)
• InChIKey: POSZFTKSDFSHNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}acetamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-{5-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrazol-1-yl}acetamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.9805565
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.4492071
• LogD (pH = 7.4): 0.16091567
• Log P: 0.22863826
• Molar Refractivity: 119.5666 cm^3
• Polarizability: 40.2262 Å^3
• Polar Surface Area: 93.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 1.0
• LOG S: -3.27
• Polar Surface Area: 93.24 Å^2
• Rotatable Bonds: 7