2-[5-(dimethyl-1,3-thiazole-4-carbonyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine

• ChemBase ID: 533601
• Molecular Formular: C17H17N5OS
• Molecular Mass: 339.41478
• Monoisotopic Mass: 339.11538119
• SMILES: c1(C(=O)N2C(c3c([nH]cn3)CC2)c2ncccc2)nc(sc1C)C
• Canonical SMILES: Cc1nc(c(s1)C)C(=O)N1CCc2c(C1c1ccccn1)nc[nH]2
• InChI: InChI=1S/C17H17N5OS/c1-10-14(21-11(2)24-10)17(23)22-8-6-12-15(20-9-19-12)16(22)13-5-3-4-7-18-13/h3-5,7,9,16H,6,8H2,1-2H3,(H,19,20)
• InChIKey: QDSCWHMZDBDQEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(dimethyl-1,3-thiazole-4-carbonyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine
• IUPAC Traditional name: 2-[5-(dimethyl-1,3-thiazole-4-carbonyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine
• Synonyms: 5-[(2,5-dimethyl-1,3-thiazol-4-yl)carbonyl]-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.311935
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1799471
• LogD (pH = 7.4): 1.5974258
• Log P: 1.6080773
• Molar Refractivity: 91.4349 cm^3
• Polarizability: 34.399345 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.77
• LOG S: -1.02
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2