N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 773718
• Molecular Formular: C18H24N4OS
• Molecular Mass: 344.47436
• Monoisotopic Mass: 344.16708241
• SMILES: C1(c2nc[nH]c2CCN1)C(=O)N(Cc1sc(cc1)C)C1CCCC1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)N(C1CCCC1)Cc1ccc(s1)C
• InChI: InChI=1S/C18H24N4OS/c1-12-6-7-14(24-12)10-22(13-4-2-3-5-13)18(23)17-16-15(8-9-19-17)20-11-21-16/h6-7,11,13,17,19H,2-5,8-10H2,1H3,(H,20,21)
• InChIKey: HGYPGEDLGHQAHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-cyclopentyl-N-[(5-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.888792
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2307212
• LogD (pH = 7.4): 2.3927484
• Log P: 2.4984293
• Molar Refractivity: 95.6038 cm^3
• Polarizability: 36.76679 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.33
• LOG S: -2.85
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4