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

• ChemBase ID: 711808
• Molecular Formular: C27H32N4O3
• Molecular Mass: 460.56798
• Monoisotopic Mass: 460.2474409
• SMILES: c12c(nn(c1CCN(C2)Cc1cc(OC)ccc1)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)Cc1cccc(c1)OC)C(=O)NC1CC1
• InChI: InChI=1S/C27H32N4O3/c1-33-22-10-6-19(7-11-22)12-15-31-25-13-14-30(17-20-4-3-5-23(16-20)34-2)18-24(25)26(29-31)27(32)28-21-8-9-21/h3-7,10-11,16,21H,8-9,12-15,17-18H2,1-2H3,(H,28,32)
• InChIKey: LIGXFYACLFPSOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-5-(3-methoxybenzyl)-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: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9978728
• LogD (pH = 7.4): 3.299786
• Log P: 3.421687
• Molar Refractivity: 144.5225 cm^3
• Polarizability: 50.599884 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.49
• LOG S: -5.69
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7