1-ethyl-4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-5-methyl-1H-pyrazole

• ChemBase ID: 425553
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(C(=O)N2Cc3nc([nH]c3CC2)c2cc(OC)ccc2)c(n(nc1)CC)C
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)C(=O)c1cnn(c1C)CC
• InChI: InChI=1S/C20H23N5O2/c1-4-25-13(2)16(11-21-25)20(26)24-9-8-17-18(12-24)23-19(22-17)14-6-5-7-15(10-14)27-3/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,22,23)
• InChIKey: WNRVNJKJIMAQHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-5-methyl-1H-pyrazole
• IUPAC Traditional name: 1-ethyl-4-[2-(3-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-5-methylpyrazole
• Synonyms: 5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.679023
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3249216
• LogD (pH = 7.4): 1.5376273
• Log P: 1.5412297
• Molar Refractivity: 125.639 cm^3
• Polarizability: 39.325188 Å^3
• Polar Surface Area: 76.04 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: 1.51
• LOG S: -3.15
• Polar Surface Area: 76.04 Å^2
• Rotatable Bonds: 4