N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 591159
• Molecular Formular: C16H19N5O2
• Molecular Mass: 313.35436
• Monoisotopic Mass: 313.15387487
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1nc(on1)CCC)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)c1cccc2n1ncc2)CC
• InChI: InChI=1S/C16H19N5O2/c1-3-6-15-18-14(19-23-15)11-20(4-2)16(22)13-8-5-7-12-9-10-17-21(12)13/h5,7-10H,3-4,6,11H2,1-2H3
• InChIKey: QIJUMEANIZOCTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3926795
• LogD (pH = 7.4): 2.3927333
• Log P: 2.3927338
• Molar Refractivity: 97.8838 cm^3
• Polarizability: 32.481903 Å^3
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.18
• LOG S: -2.49
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 6