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

• ChemBase ID: 384609
• Molecular Formular: C21H30N8O
• Molecular Mass: 410.5159
• Monoisotopic Mass: 410.25425762
• SMILES: c1(n(nnn1)CCCC(=O)NCc1nc2n(c1)c(ccc2)C)CN1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)Cc1nnnn1CCCC(=O)NCc1cn2c(n1)cccc2C
• InChI: InChI=1S/C21H30N8O/c1-16-8-11-27(12-9-16)15-20-24-25-26-29(20)10-4-7-21(30)22-13-18-14-28-17(2)5-3-6-19(28)23-18/h3,5-6,14,16H,4,7-13,15H2,1-2H3,(H,22,30)
• InChIKey: QDBKLXQENQZGLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.075954
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.2860593
• LogD (pH = 7.4): 0.5761486
• Log P: 0.7168608
• Molar Refractivity: 129.4713 cm^3
• Polarizability: 43.823433 Å^3
• Polar Surface Area: 93.24 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 1.94
• LOG S: -3.65
• Polar Surface Area: 93.24 Å^2
• Rotatable Bonds: 8