N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

• ChemBase ID: 680740
• Molecular Formular: C16H17N3O2S
• Molecular Mass: 315.39008
• Monoisotopic Mass: 315.1041478
• SMILES: c1(nn2c(c1)cccc2)C(=O)N(Cc1sccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cc2n(n1)cccc2)Cc1cccs1
• InChI: InChI=1S/C16H17N3O2S/c1-21-9-8-18(12-14-6-4-10-22-14)16(20)15-11-13-5-2-3-7-19(13)17-15/h2-7,10-11H,8-9,12H2,1H3
• InChIKey: ONWAIACTOOLFGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-(2-thienylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7774038
• LogD (pH = 7.4): 2.7774048
• Log P: 2.7774048
• Molar Refractivity: 97.0237 cm^3
• Polarizability: 33.10123 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.46
• LOG S: -3.6
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6