2-(1-{pyrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-2-yl)-1,3-thiazole

• ChemBase ID: 784884
• Molecular Formular: C15H14N4OS
• Molecular Mass: 298.36286
• Monoisotopic Mass: 298.08883209
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1C(c2nccs2)CCC1
• Canonical SMILES: O=C(c1cccc2n1ncc2)N1CCCC1c1nccs1
• InChI: InChI=1S/C15H14N4OS/c20-15(13-4-1-3-11-6-7-17-19(11)13)18-9-2-5-12(18)14-16-8-10-21-14/h1,3-4,6-8,10,12H,2,5,9H2
• InChIKey: XDDATOFFSXQRJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7951434
• LogD (pH = 7.4): 1.7953598
• Log P: 1.7953626
• Molar Refractivity: 91.1615 cm^3
• Polarizability: 30.807686 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.79
• LOG S: -2.05
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2