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

• ChemBase ID: 859485
• Molecular Formular: C15H15N7OS
• Molecular Mass: 341.3909
• Monoisotopic Mass: 341.10587914
• SMILES: c12C(C(=O)NCc3nc(sc3)c3nccnc3)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C15H15N7OS/c23-14(13-12-10(1-2-18-13)20-8-21-12)19-5-9-7-24-15(22-9)11-6-16-3-4-17-11/h3-4,6-8,13,18H,1-2,5H2,(H,19,23)(H,20,21)
• InChIKey: FFPWHYWDZYKLET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.461395
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -2.1622303
• LogD (pH = 7.4): -1.0230745
• Log P: -0.9231503
• Molar Refractivity: 97.4497 cm^3
• Polarizability: 34.19218 Å^3
• Polar Surface Area: 108.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -1.24
• LOG S: -1.94
• Polar Surface Area: 108.48 Å^2
• Rotatable Bonds: 4