N-(1-hydroxy-2-methylpropan-2-yl)-N-(thiophen-3-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 637911
• Molecular Formular: C17H23N3O2S
• Molecular Mass: 333.44842
• Monoisotopic Mass: 333.15109799
• SMILES: c1(C(=O)N(Cc2cscc2)C(CO)(C)C)c2n(nc1)CCCC2
• Canonical SMILES: OCC(N(C(=O)c1cnn2c1CCCC2)Cc1cscc1)(C)C
• InChI: InChI=1S/C17H23N3O2S/c1-17(2,12-21)19(10-13-6-8-23-11-13)16(22)14-9-18-20-7-4-3-5-15(14)20/h6,8-9,11,21H,3-5,7,10,12H2,1-2H3
• InChIKey: SGPQQKLWYOSYAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-hydroxy-2-methylpropan-2-yl)-N-(thiophen-3-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-(1-hydroxy-2-methylpropan-2-yl)-N-(thiophen-3-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-(2-hydroxy-1,1-dimethylethyl)-N-(3-thienylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.769866
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9041448
• LogD (pH = 7.4): 1.9041821
• Log P: 1.9041826
• Molar Refractivity: 103.444 cm^3
• Polarizability: 34.553368 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.53
• LOG S: -2.94
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 5