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

• ChemBase ID: 386417
• Molecular Formular: C27H28N6O3
• Molecular Mass: 484.54962
• Monoisotopic Mass: 484.22228879
• SMILES: c12c(nn(c1CCN(C(=O)c1n[nH]c3c1cccc3)C2)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)C(=O)c1n[nH]c2c1cccc2)C(=O)NC1CC1
• InChI: InChI=1S/C27H28N6O3/c1-36-19-10-6-17(7-11-19)12-15-33-23-13-14-32(16-21(23)24(31-33)26(34)28-18-8-9-18)27(35)25-20-4-2-3-5-22(20)29-30-25/h2-7,10-11,18H,8-9,12-16H2,1H3,(H,28,34)(H,29,30)
• InChIKey: ZPDREDJMSJZESI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.192478
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.6448565
• LogD (pH = 7.4): 2.6441834
• Log P: 2.644866
• Molar Refractivity: 148.0315 cm^3
• Polarizability: 51.95556 Å^3
• Polar Surface Area: 105.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 2.74
• LOG S: -7.5
• Polar Surface Area: 105.14 Å^2
• Rotatable Bonds: 6