3-cyclohexyl-4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-1H-pyrazole

• ChemBase ID: 346036
• Molecular Formular: C15H21N5
• Molecular Mass: 271.36074
• Monoisotopic Mass: 271.1796957
• SMILES: c1(C2c3nc[nH]c3CCN2)c(n[nH]c1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)c1n[nH]cc1C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C15H21N5/c1-2-4-10(5-3-1)13-11(8-19-20-13)14-15-12(6-7-16-14)17-9-18-15/h8-10,14,16H,1-7H2,(H,17,18)(H,19,20)
• InChIKey: XGIQWMFLHUDDIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.934798
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.3359544
• LogD (pH = 7.4): 1.5431436
• Log P: 1.7112705
• Molar Refractivity: 78.8751 cm^3
• Polarizability: 30.018953 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.19
• LOG S: -1.19
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 2