N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 314970
• Molecular Formular: C15H17N5OS
• Molecular Mass: 315.39338
• Monoisotopic Mass: 315.11538119
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NC(c1nc2n(c1)ccs2)C
• Canonical SMILES: CC(c1cn2c(n1)scc2)NC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C15H17N5OS/c1-10(12-9-19-6-7-22-15(19)18-12)17-14(21)11-8-16-20-5-3-2-4-13(11)20/h6-10H,2-5H2,1H3,(H,17,21)
• InChIKey: FLFQDZWBKQOZCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.623696
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3545682
• LogD (pH = 7.4): 1.3631452
• Log P: 1.3632559
• Molar Refractivity: 107.5183 cm^3
• Polarizability: 31.42882 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.79
• LOG S: -3.88
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 3