N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 857407
• Molecular Formular: C14H18N4O2S
• Molecular Mass: 306.38332
• Monoisotopic Mass: 306.11504684
• SMILES: c1(C(=O)N(Cc2nccs2)CCO)c2n(nc1)CCCC2
• Canonical SMILES: OCCN(C(=O)c1cnn2c1CCCC2)Cc1nccs1
• InChI: InChI=1S/C14H18N4O2S/c19-7-6-17(10-13-15-4-8-21-13)14(20)11-9-16-18-5-2-1-3-12(11)18/h4,8-9,19H,1-3,5-7,10H2
• InChIKey: WFVQQEWGSIYRDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.572813
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15831678
• LogD (pH = 7.4): 0.15854523
• Log P: 0.15854813
• Molar Refractivity: 91.8166 cm^3
• Polarizability: 30.054989 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.57
• LOG S: -1.92
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 5