N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}acetamide

• ChemBase ID: 655914
• Molecular Formular: C19H26N8O
• Molecular Mass: 382.46274
• Monoisotopic Mass: 382.22295749
• SMILES: n1(c(nnn1)CN1CCC(CC1)C)CC(=O)NCc1nc2n(c1)cc(cc2)C
• Canonical SMILES: CC1CCN(CC1)Cc1nnnn1CC(=O)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C19H26N8O/c1-14-5-7-25(8-6-14)12-18-22-23-24-27(18)13-19(28)20-9-16-11-26-10-15(2)3-4-17(26)21-16/h3-4,10-11,14H,5-9,12-13H2,1-2H3,(H,20,28)
• InChIKey: CTTZZWLYSDVBMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}acetamide
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-{5-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrazol-1-yl}acetamide
• Synonyms: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.248517
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.1825228
• LogD (pH = 7.4): 0.43650165
• Log P: 0.5050469
• Molar Refractivity: 119.9084 cm^3
• Polarizability: 40.1478 Å^3
• Polar Surface Area: 93.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 1.51
• LOG S: -3.12
• Polar Surface Area: 93.24 Å^2
• Rotatable Bonds: 6