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

• ChemBase ID: 377898
• Molecular Formular: C21H22N4O2
• Molecular Mass: 362.42498
• Monoisotopic Mass: 362.17427596
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)C1OCCNC1)c1c2c(ccc1)cccc2
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2)C1CNCCO1
• InChI: InChI=1S/C21H22N4O2/c26-21(19-12-22-9-11-27-19)25-10-8-18-17(13-25)20(24-23-18)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,19,22H,8-13H2,(H,23,24)
• InChIKey: UWJRCUIKMAZJID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]morpholine
• IUPAC Traditional name: 2-[3-(naphthalen-1-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]morpholine
• Synonyms: 5-(morpholin-2-ylcarbonyl)-3-(1-naphthyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.985586
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.49203008
• LogD (pH = 7.4): 1.2044321
• Log P: 1.7013679
• Molar Refractivity: 104.0253 cm^3
• Polarizability: 42.32529 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.82
• LOG S: -3.4
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 2