3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(2-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

• ChemBase ID: 641617
• Molecular Formular: C23H23N5O2
• Molecular Mass: 401.46102
• Monoisotopic Mass: 401.185175
• SMILES: c12c(n[nH]c1CCN(C2)C(=O)CCc1nc2n(c1)cccc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1n[nH]c2c1CN(CC2)C(=O)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C23H23N5O2/c1-30-20-7-3-2-6-17(20)23-18-15-28(13-11-19(18)25-26-23)22(29)10-9-16-14-27-12-5-4-8-21(27)24-16/h2-8,12,14H,9-11,13,15H2,1H3,(H,25,26)
• InChIKey: ZDORKDMORZTGPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(2-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(2-methoxyphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• Synonyms: 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.779745
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2520196
• LogD (pH = 7.4): 1.9640689
• Log P: 1.9914416
• Molar Refractivity: 115.8617 cm^3
• Polarizability: 44.682835 Å^3
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -2.99
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 5