1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 711507
• Molecular Formular: C26H32N4O3
• Molecular Mass: 448.55728
• Monoisotopic Mass: 448.2474409
• SMILES: c1(c2c(n(n1)CCc1ccc(cc1)OC)CCN(C2)Cc1cc(OC)ccc1)C(=O)N(C)C
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)Cc1cccc(c1)OC)C(=O)N(C)C
• InChI: InChI=1S/C26H32N4O3/c1-28(2)26(31)25-23-18-29(17-20-6-5-7-22(16-20)33-4)14-13-24(23)30(27-25)15-12-19-8-10-21(32-3)11-9-19/h5-11,16H,12-15,17-18H2,1-4H3
• InChIKey: IHUOKSCVKQIERE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-(3-methoxybenzyl)-1-[2-(4-methoxyphenyl)ethyl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7873867
• LogD (pH = 7.4): 3.0657296
• Log P: 3.1797984
• Molar Refractivity: 142.208 cm^3
• Polarizability: 49.486588 Å^3
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.83
• LOG S: -4.16
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6