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

• ChemBase ID: 865562
• Molecular Formular: C16H12N6OS
• Molecular Mass: 336.37108
• Monoisotopic Mass: 336.07933003
• SMILES: n12c(C(=O)NCc3nc(sc3)c3nccnc3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C16H12N6OS/c23-15(14-3-1-2-12-4-5-20-22(12)14)19-8-11-10-24-16(21-11)13-9-17-6-7-18-13/h1-7,9-10H,8H2,(H,19,23)
• InChIKey: IRMVGTWHAZFAAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.448205
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.93745834
• LogD (pH = 7.4): 0.93751323
• Log P: 0.937514
• Molar Refractivity: 109.5451 cm^3
• Polarizability: 34.514652 Å^3
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.76
• LOG S: -3.16
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 4