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

• ChemBase ID: 709502
• Molecular Formular: C25H24N6O3S
• Molecular Mass: 488.56146
• Monoisotopic Mass: 488.16305966
• SMILES: c12c(nn(c1CCN(C(=O)c1c(nccc1)OC)C2)Cc1ccccc1)C(=O)NCc1nccs1
• Canonical SMILES: COc1ncccc1C(=O)N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)NCc1nccs1
• InChI: InChI=1S/C25H24N6O3S/c1-34-24-18(8-5-10-27-24)25(33)30-12-9-20-19(16-30)22(23(32)28-14-21-26-11-13-35-21)29-31(20)15-17-6-3-2-4-7-17/h2-8,10-11,13H,9,12,14-16H2,1H3,(H,28,32)
• InChIKey: IZRUOAIGEZYTPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-(2-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-benzyl-5-(2-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-benzyl-5-[(2-methoxy-3-pyridinyl)carbonyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.692028
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.0146854
• LogD (pH = 7.4): 2.0149422
• Log P: 2.0149455
• Molar Refractivity: 143.7268 cm^3
• Polarizability: 49.443913 Å^3
• Polar Surface Area: 102.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.23
• LOG S: -6.75
• Polar Surface Area: 102.24 Å^2
• Rotatable Bonds: 6