4-{5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-1H-pyrazole

• ChemBase ID: 337409
• Molecular Formular: C17H17F2N5O
• Molecular Mass: 345.3465864
• Monoisotopic Mass: 345.14011663
• SMILES: c1(nc2c([nH]1)CCN(Cc1c(c(ccc1OC)F)F)C2)c1c[nH]nc1
• Canonical SMILES: COc1ccc(c(c1CN1CCc2c(C1)nc([nH]2)c1c[nH]nc1)F)F
• InChI: InChI=1S/C17H17F2N5O/c1-25-15-3-2-12(18)16(19)11(15)8-24-5-4-13-14(9-24)23-17(22-13)10-6-20-21-7-10/h2-3,6-7H,4-5,8-9H2,1H3,(H,20,21)(H,22,23)
• InChIKey: RTVXZIBIQGPVAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.576701
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3930833
• LogD (pH = 7.4): 1.7816744
• Log P: 1.7899926
• Molar Refractivity: 100.6284 cm^3
• Polarizability: 33.790215 Å^3
• Polar Surface Area: 69.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.73
• LOG S: -2.19
• Polar Surface Area: 69.83 Å^2
• Rotatable Bonds: 4