4-ethyl-5-[2-(1H-pyrazol-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1,3-thiazol-2-amine

• ChemBase ID: 542134
• Molecular Formular: C15H17N7OS
• Molecular Mass: 343.40678
• Monoisotopic Mass: 343.1215292
• SMILES: c1(C(=O)N2Cc3nc([nH]c3CC2)c2c[nH]nc2)c(nc(s1)N)CC
• Canonical SMILES: CCc1nc(sc1C(=O)N1CCc2c(C1)nc([nH]2)c1c[nH]nc1)N
• InChI: InChI=1S/C15H17N7OS/c1-2-9-12(24-15(16)21-9)14(23)22-4-3-10-11(7-22)20-13(19-10)8-5-17-18-6-8/h5-6H,2-4,7H2,1H3,(H2,16,21)(H,17,18)(H,19,20)
• InChIKey: WXEKWHOEUYATDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.1134815
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.38568777
• LogD (pH = 7.4): 0.49563685
• Log P: 0.4973179
• Molar Refractivity: 102.4461 cm^3
• Polarizability: 34.034397 Å^3
• Polar Surface Area: 116.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.34
• LOG S: -2.71
• Polar Surface Area: 116.58 Å^2
• Rotatable Bonds: 3