N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 735398
• Molecular Formular: C14H17N5OS
• Molecular Mass: 303.38268
• Monoisotopic Mass: 303.11538119
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCc1nc2n(c1)CCS2
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCc1nc2n(c1)CCS2
• InChI: InChI=1S/C14H17N5OS/c20-13(11-8-16-19-4-2-1-3-12(11)19)15-7-10-9-18-5-6-21-14(18)17-10/h8-9H,1-7H2,(H,15,20)
• InChIKey: SQBSPOBEHCPQBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.531263
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.91887283
• LogD (pH = 7.4): 0.9603918
• Log P: 0.96094954
• Molar Refractivity: 93.8879 cm^3
• Polarizability: 30.682526 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.45
• LOG S: -1.8
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3