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

• ChemBase ID: 473815
• Molecular Formular: C26H30N4O2
• Molecular Mass: 430.542
• Monoisotopic Mass: 430.23687622
• SMILES: c1(c2c(n(n1)CCc1ccccc1)CCN(C2)Cc1ccccc1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1ccccc1)CCc1ccccc1)N1CCOCC1
• InChI: InChI=1S/C26H30N4O2/c31-26(29-15-17-32-18-16-29)25-23-20-28(19-22-9-5-2-6-10-22)13-12-24(23)30(27-25)14-11-21-7-3-1-4-8-21/h1-10H,11-20H2
• InChIKey: QZZNBXHAFVZCLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5918729
• LogD (pH = 7.4): 3.0710151
• Log P: 3.2766407
• Molar Refractivity: 138.3561 cm^3
• Polarizability: 48.101555 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.15
• LOG S: -4.19
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6