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

• ChemBase ID: 418387
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: c12c(n[nH]c2CCN(C1)C(C(=O)N)C)c1c2c(ccc1)cccc2
• Canonical SMILES: NC(=O)C(N1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2)C
• InChI: InChI=1S/C19H20N4O/c1-12(19(20)24)23-10-9-17-16(11-23)18(22-21-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,12H,9-11H2,1H3,(H2,20,24)(H,21,22)
• InChIKey: VHJQVGOYIJWAJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.304645
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5736152
• LogD (pH = 7.4): 2.0241497
• Log P: 2.212372
• Molar Refractivity: 95.2007 cm^3
• Polarizability: 38.64049 Å^3
• Polar Surface Area: 75.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.49
• LOG S: -3.66
• Polar Surface Area: 75.01 Å^2
• Rotatable Bonds: 3