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

• ChemBase ID: 866136
• Molecular Formular: C26H30N4O3
• Molecular Mass: 446.5414
• Monoisotopic Mass: 446.23179084
• SMILES: c12c(nn(c1CCN(C2)Cc1ccc(cc1)O)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)Cc1ccc(cc1)O)C(=O)NC1CC1
• InChI: InChI=1S/C26H30N4O3/c1-33-22-10-4-18(5-11-22)12-15-30-24-13-14-29(16-19-2-8-21(31)9-3-19)17-23(24)25(28-30)26(32)27-20-6-7-20/h2-5,8-11,20,31H,6-7,12-17H2,1H3,(H,27,32)
• InChIKey: DPARNJWTHSKJFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.490554
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8455325
• LogD (pH = 7.4): 3.1486592
• Log P: 3.2757928
• Molar Refractivity: 140.0402 cm^3
• Polarizability: 48.6873 Å^3
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 2.9
• LOG S: -5.56
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 7