5-(2,1,3-benzothiadiazol-5-ylmethyl)-1-benzyl-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 748018
• Molecular Formular: C23H24N6OS
• Molecular Mass: 432.54126
• Monoisotopic Mass: 432.17323042
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)Cc1cc2c(nsn2)cc1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CN(CC2)Cc1ccc2c(c1)nsn2)Cc1ccccc1)C
• InChI: InChI=1S/C23H24N6OS/c1-27(2)23(30)22-18-15-28(13-17-8-9-19-20(12-17)26-31-25-19)11-10-21(18)29(24-22)14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-15H2,1-2H3
• InChIKey: QRZFCDXSRPIWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,1,3-benzothiadiazol-5-ylmethyl)-1-benzyl-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(2,1,3-benzothiadiazol-5-ylmethyl)-1-benzyl-N,N-dimethyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-(2,1,3-benzothiadiazol-5-ylmethyl)-1-benzyl-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): 2.4125378
• LogD (pH = 7.4): 3.31003
• Log P: 3.3501089
• Molar Refractivity: 135.009 cm^3
• Polarizability: 47.149464 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.73
• LOG S: -3.83
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5