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

• ChemBase ID: 536344
• Molecular Formular: C26H28N6O3
• Molecular Mass: 472.53892
• Monoisotopic Mass: 472.22228879
• SMILES: c1(c2c(n(n1)CCc1ccc(cc1)OC)CCN(C(=O)c1n[nH]c3c1cccc3)C2)C(=O)N(C)C
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)C(=O)c1n[nH]c2c1cccc2)C(=O)N(C)C
• InChI: InChI=1S/C26H28N6O3/c1-30(2)25(33)24-20-16-31(26(34)23-19-6-4-5-7-21(19)27-28-23)14-13-22(20)32(29-24)15-12-17-8-10-18(35-3)11-9-17/h4-11H,12-16H2,1-3H3,(H,27,28)
• InChIKey: IDDSLNRDFFJGDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.192532
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4029682
• LogD (pH = 7.4): 2.402295
• Log P: 2.4029777
• Molar Refractivity: 145.717 cm^3
• Polarizability: 50.841488 Å^3
• Polar Surface Area: 96.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.08
• LOG S: -5.98
• Polar Surface Area: 96.35 Å^2
• Rotatable Bonds: 5