3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine

• ChemBase ID: 765549
• Molecular Formular: C18H25N5O3
• Molecular Mass: 359.4228
• Monoisotopic Mass: 359.19573969
• SMILES: c1(C(=O)N2CC(c3nc(no3)CCOC)CCC2)c2n(nc1)CCCC2
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C18H25N5O3/c1-25-10-7-16-20-17(26-21-16)13-5-4-8-22(12-13)18(24)14-11-19-23-9-3-2-6-15(14)23/h11,13H,2-10,12H2,1H3
• InChIKey: XNAQTMJFMPTVSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-({3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.032424
• LogD (pH = 7.4): 1.0324615
• Log P: 1.032462
• Molar Refractivity: 108.8525 cm^3
• Polarizability: 35.865067 Å^3
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.03
• LOG S: -3.1
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 5