3-{5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}pyridine

• ChemBase ID: 558171
• Molecular Formular: C19H24N6
• Molecular Mass: 336.43406
• Monoisotopic Mass: 336.2062448
• SMILES: c1(c(n(nc1C)CC)C)CN1Cc2nc([nH]c2CC1)c1cnccc1
• Canonical SMILES: CCn1nc(c(c1C)CN1CCc2c(C1)nc([nH]2)c1cccnc1)C
• InChI: InChI=1S/C19H24N6/c1-4-25-14(3)16(13(2)23-25)11-24-9-7-17-18(12-24)22-19(21-17)15-6-5-8-20-10-15/h5-6,8,10H,4,7,9,11-12H2,1-3H3,(H,21,22)
• InChIKey: JRGCCGRWHDKNTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.965897
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.44455305
• LogD (pH = 7.4): 1.069834
• Log P: 1.256003
• Molar Refractivity: 121.2813 cm^3
• Polarizability: 38.1242 Å^3
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -1.92
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 4