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

• ChemBase ID: 354010
• Molecular Formular: C26H27ClN4O3
• Molecular Mass: 478.97058
• Monoisotopic Mass: 478.17716842
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1cc(Cl)ccc1)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)C(=O)c1cccc(c1)Cl)C(=O)NC1CC1
• InChI: InChI=1S/C26H27ClN4O3/c1-34-21-9-5-17(6-10-21)11-14-31-23-12-13-30(26(33)18-3-2-4-19(27)15-18)16-22(23)24(29-31)25(32)28-20-7-8-20/h2-6,9-10,15,20H,7-8,11-14,16H2,1H3,(H,28,32)
• InChIKey: UBKHGCIDLUMFBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105432
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5399978
• LogD (pH = 7.4): 3.5399985
• Log P: 3.5399985
• Molar Refractivity: 143.1932 cm^3
• Polarizability: 49.522263 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.41
• LOG S: -7.37
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 6