5-cyclobutanecarbonyl-3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 530709
• Molecular Formular: C24H25N3O
• Molecular Mass: 371.4748
• Monoisotopic Mass: 371.19976244
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)C1CCC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1)C1CCC1
• InChI: InChI=1S/C24H25N3O/c28-24(19-12-7-13-19)27-15-14-21-20(16-27)23(26-25-21)22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,22H,7,12-16H2,(H,25,26)
• InChIKey: RZBRWVCTIINSMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclobutanecarbonyl-3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 5-cyclobutanecarbonyl-3-(diphenylmethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 5-(cyclobutylcarbonyl)-3-(diphenylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.056068
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.043641
• LogD (pH = 7.4): 4.043772
• Log P: 4.043774
• Molar Refractivity: 111.8399 cm^3
• Polarizability: 42.571075 Å^3
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.7
• LOG S: -5.61
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 4