ethyl 2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-3-carboxylate

• ChemBase ID: 849813
• Molecular Formular: C15H13N3O2
• Molecular Mass: 267.28262
• Monoisotopic Mass: 267.10077667
• SMILES: c1(n2c(ccn2)ccc1)c1c(C(=O)OCC)cccn1
• Canonical SMILES: CCOC(=O)c1cccnc1c1cccc2n1ncc2
• InChI: InChI=1S/C15H13N3O2/c1-2-20-15(19)12-6-4-9-16-14(12)13-7-3-5-11-8-10-17-18(11)13/h3-10H,2H2,1H3
• InChIKey: BQWCZRVBRUFTFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-3-carboxylate
• Synonyms: ethyl 2-pyrazolo[1,5-a]pyridin-7-ylnicotinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5986047
• LogD (pH = 7.4): 2.5988688
• Log P: 2.5988722
• Molar Refractivity: 85.2366 cm^3
• Polarizability: 30.28147 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -3.27
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 4