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

• ChemBase ID: 378955
• Molecular Formular: C24H32N4O3
• Molecular Mass: 424.53588
• Monoisotopic Mass: 424.2474409
• SMILES: c12c(nn(c1CCN(C2)C(=O)C(CC)C)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: CCC(C(=O)N1CCc2c(C1)c(nn2CCc1ccc(cc1)OC)C(=O)NC1CC1)C
• InChI: InChI=1S/C24H32N4O3/c1-4-16(2)24(30)27-13-12-21-20(15-27)22(23(29)25-18-7-8-18)26-28(21)14-11-17-5-9-19(31-3)10-6-17/h5-6,9-10,16,18H,4,7-8,11-15H2,1-3H3,(H,25,29)
• InChIKey: ANCDMVBIRNNNLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(2-methylbutanoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(2-methylbutanoyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(2-methylbutanoyl)-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): 2.7698693
• LogD (pH = 7.4): 2.76987
• Log P: 2.7698703
• Molar Refractivity: 131.5203 cm^3
• Polarizability: 45.628284 Å^3
• Polar Surface Area: 76.46 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: 1.55
• LOG S: -5.86
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 6