3-[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-(propan-2-yl)propanamide

• ChemBase ID: 729696
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c12c(n[nH]c1CCN(C2)CCC(=O)NC(C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: CC(NC(=O)CCN1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2)C
• InChI: InChI=1S/C22H26N4O/c1-15(2)23-21(27)11-13-26-12-10-20-19(14-26)22(25-24-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15H,10-14H2,1-2H3,(H,23,27)(H,24,25)
• InChIKey: OYTNNIYTULGCFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-3-[3-(naphthalen-1-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
• Synonyms: N-isopropyl-3-[3-(1-naphthyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.300178
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.32521525
• LogD (pH = 7.4): 2.096931
• Log P: 2.8776796
• Molar Refractivity: 109.4703 cm^3
• Polarizability: 44.181324 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.28
• LOG S: -4.64
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5