2-{pyrazolo[1,5-a]pyridin-7-yl}-1,3-thiazole

• ChemBase ID: 525186
• Molecular Formular: C10H7N3S
• Molecular Mass: 201.24768
• Monoisotopic Mass: 201.03606824
• SMILES: c1(n2c(ccn2)ccc1)c1nccs1
• Canonical SMILES: c1csc(n1)c1cccc2n1ncc2
• InChI: InChI=1S/C10H7N3S/c1-2-8-4-5-12-13(8)9(3-1)10-11-6-7-14-10/h1-7H
• InChIKey: DBLDCTJPCIIUFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{pyrazolo[1,5-a]pyridin-7-yl}-1,3-thiazole
• IUPAC Traditional name: 2-{pyrazolo[1,5-a]pyridin-7-yl}-1,3-thiazole
• Synonyms: 7-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1065488
• LogD (pH = 7.4): 2.1067448
• Log P: 2.1067472
• Molar Refractivity: 76.1654 cm^3
• Polarizability: 22.004728 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.7
• LOG S: -2.98
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1