N-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 661834
• Molecular Formular: C18H19N5O2S
• Molecular Mass: 369.44076
• Monoisotopic Mass: 369.12594587
• SMILES: c12C(C(=O)NCc3sc(nc3)c3cc(OC)ccc3)NCCc2[nH]cn1
• Canonical SMILES: COc1cccc(c1)c1ncc(s1)CNC(=O)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C18H19N5O2S/c1-25-12-4-2-3-11(7-12)18-21-9-13(26-18)8-20-17(24)16-15-14(5-6-19-16)22-10-23-15/h2-4,7,9-10,16,19H,5-6,8H2,1H3,(H,20,24)(H,22,23)
• InChIKey: KRLKFLKIAPBJCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.758108
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.21965802
• LogD (pH = 7.4): 0.9197156
• Log P: 1.0196404
• Molar Refractivity: 108.905 cm^3
• Polarizability: 38.452137 Å^3
• Polar Surface Area: 91.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.59
• LOG S: -2.4
• Polar Surface Area: 91.93 Å^2
• Rotatable Bonds: 5