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

• ChemBase ID: 351054
• Molecular Formular: C26H28F2N4O2
• Molecular Mass: 466.5229264
• Monoisotopic Mass: 466.2180326
• SMILES: c12c(nn(c1CCN(C2)Cc1c(F)cccc1F)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)Cc1c(F)cccc1F)C(=O)NC1CC1
• InChI: InChI=1S/C26H28F2N4O2/c1-34-19-9-5-17(6-10-19)11-14-32-24-12-13-31(15-20-22(27)3-2-4-23(20)28)16-21(24)25(30-32)26(33)29-18-7-8-18/h2-6,9-10,18H,7-8,11-16H2,1H3,(H,29,33)
• InChIKey: MZXSIPZNRROFBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.22114
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4477973
• LogD (pH = 7.4): 3.8560326
• Log P: 3.864762
• Molar Refractivity: 138.4921 cm^3
• Polarizability: 47.438763 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.85
• LOG S: -6.31
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7