2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine

• ChemBase ID: 865608
• Molecular Formular: C17H21N7O3
• Molecular Mass: 371.39374
• Monoisotopic Mass: 371.17058757
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CC(c2n(nnn2)CCOC)OCC1
• Canonical SMILES: COCCn1nnnc1C1OCCN(C1)C(=O)c1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C17H21N7O3/c1-12-3-4-22-10-13(18-15(22)9-12)17(25)23-5-8-27-14(11-23)16-19-20-21-24(16)6-7-26-2/h3-4,9-10,14H,5-8,11H2,1-2H3
• InChIKey: ZSTVPUQWPGVYTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• IUPAC Traditional name: 2-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-4-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• Synonyms: 2-({2-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]morpholin-4-yl}carbonyl)-7-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.0756058
• LogD (pH = 7.4): 0.08033866
• Log P: 0.08039935
• Molar Refractivity: 110.7569 cm^3
• Polarizability: 36.137234 Å^3
• Polar Surface Area: 99.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.96
• LOG S: -2.4
• Polar Surface Area: 99.67 Å^2
• Rotatable Bonds: 5