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

• ChemBase ID: 682587
• Molecular Formular: C23H30N4O3
• Molecular Mass: 410.5093
• Monoisotopic Mass: 410.23179084
• SMILES: c12c(nn(c1CCN(C2)C(=O)C(C)C)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)C(=O)C(C)C)C(=O)NC1CC1
• InChI: InChI=1S/C23H30N4O3/c1-15(2)23(29)26-12-11-20-19(14-26)21(22(28)24-17-6-7-17)25-27(20)13-10-16-4-8-18(30-3)9-5-16/h4-5,8-9,15,17H,6-7,10-14H2,1-3H3,(H,24,28)
• InChIKey: MIXCZDYTYNCLIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105515
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3253007
• LogD (pH = 7.4): 2.3253014
• Log P: 2.3253016
• Molar Refractivity: 126.9193 cm^3
• Polarizability: 43.79035 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: 1.02
• LOG S: -5.56
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5