1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 570303
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1c(onc1C(C)C)C1CN(C(=O)c2cn3c(nc(c3)C)cc2)CCC1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)N1CCCC(C1)c1onc(n1)C(C)C
• InChI: InChI=1S/C19H23N5O2/c1-12(2)17-21-18(26-22-17)14-5-4-8-23(10-14)19(25)15-6-7-16-20-13(3)9-24(16)11-15/h6-7,9,11-12,14H,4-5,8,10H2,1-3H3
• InChIKey: ITMOLBWUXNGEKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 3-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidine
• Synonyms: 6-{[3-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]carbonyl}-2-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.817144
• LogD (pH = 7.4): 2.4602933
• Log P: 2.4811194
• Molar Refractivity: 99.9245 cm^3
• Polarizability: 36.54505 Å^3
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.05
• LOG S: -2.67
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3