4-methoxy-2-{[3-(3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-3,5-dimethylpyridine

• ChemBase ID: 619638
• Molecular Formular: C22H26N4O2
• Molecular Mass: 378.46744
• Monoisotopic Mass: 378.20557609
• SMILES: c12c(n[nH]c1CCN(C2)Cc1c(c(c(cn1)C)OC)C)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1n[nH]c2c1CN(CC2)Cc1ncc(c(c1C)OC)C
• InChI: InChI=1S/C22H26N4O2/c1-14-11-23-20(15(2)22(14)28-4)13-26-9-8-19-18(12-26)21(25-24-19)16-6-5-7-17(10-16)27-3/h5-7,10-11H,8-9,12-13H2,1-4H3,(H,24,25)
• InChIKey: HHEJXOLNPMHWPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2-{[3-(3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-3,5-dimethylpyridine
• IUPAC Traditional name: 4-methoxy-2-{[3-(3-methoxyphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-3,5-dimethylpyridine
• Synonyms: 5-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.348884
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4715879
• LogD (pH = 7.4): 3.089472
• Log P: 3.2828631
• Molar Refractivity: 111.2921 cm^3
• Polarizability: 43.437576 Å^3
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.97
• LOG S: -3.49
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 5