N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-[2-(pyridin-3-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 720186
• Molecular Formular: C27H31N5O3
• Molecular Mass: 473.56674
• Monoisotopic Mass: 473.24268988
• SMILES: c12c(nn(c1CCN(C2)C(=O)Cc1cnccc1)Cc1ccc(cc1)OC)C(=O)NC1CCCC1
• Canonical SMILES: COc1ccc(cc1)Cn1nc(c2c1CCN(C2)C(=O)Cc1cccnc1)C(=O)NC1CCCC1
• InChI: InChI=1S/C27H31N5O3/c1-35-22-10-8-19(9-11-22)17-32-24-12-14-31(25(33)15-20-5-4-13-28-16-20)18-23(24)26(30-32)27(34)29-21-6-2-3-7-21/h4-5,8-11,13,16,21H,2-3,6-7,12,14-15,17-18H2,1H3,(H,29,34)
• InChIKey: SOYCOPUAEHTEBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-[2-(pyridin-3-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-[2-(pyridin-3-yl)acetyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-1-(4-methoxybenzyl)-5-(3-pyridinylacetyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.097431
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2178886
• LogD (pH = 7.4): 2.297776
• Log P: 2.298923
• Molar Refractivity: 144.7299 cm^3
• Polarizability: 50.712017 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.21
• LOG S: -6.17
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6