4-[1-benzyl-5-(2-chloropyridine-4-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine

• ChemBase ID: 358948
• Molecular Formular: C24H24ClN5O3
• Molecular Mass: 465.93206
• Monoisotopic Mass: 465.15676733
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)C(=O)c1cc(ncc1)Cl)C(=O)N1CCOCC1
• Canonical SMILES: Clc1nccc(c1)C(=O)N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N1CCOCC1
• InChI: InChI=1S/C24H24ClN5O3/c25-21-14-18(6-8-26-21)23(31)29-9-7-20-19(16-29)22(24(32)28-10-12-33-13-11-28)27-30(20)15-17-4-2-1-3-5-17/h1-6,8,14H,7,9-13,15-16H2
• InChIKey: MOIDEAYLMASONV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-benzyl-5-(2-chloropyridine-4-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[1-benzyl-5-(2-chloropyridine-4-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• Synonyms: 1-benzyl-5-(2-chloroisonicotinoyl)-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9511234
• LogD (pH = 7.4): 1.9511244
• Log P: 1.9511244
• Molar Refractivity: 137.6394 cm^3
• Polarizability: 46.972073 Å^3
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.53
• LOG S: -4.39
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 4