N-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 460426
• Molecular Formular: C16H17N5O2S
• Molecular Mass: 343.40348
• Monoisotopic Mass: 343.11029581
• SMILES: n12c(C(=O)NCc3nc(sc3)N3CCOCC3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C16H17N5O2S/c22-15(14-3-1-2-13-4-5-18-21(13)14)17-10-12-11-24-16(19-12)20-6-8-23-9-7-20/h1-5,11H,6-10H2,(H,17,22)
• InChIKey: WGQBRGDAJLVSHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Polarizability: 34.505787 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.468227
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5356197
• LogD (pH = 7.4): 1.5360265
• Log P: 1.5360317
• Molar Refractivity: 102.1057 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1
• Log P: -0.05
• LOG S: -2.97