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

• ChemBase ID: 403408
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)C1CC1)c1c2c(ccc1)cccc2
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2)C1CC1
• InChI: InChI=1S/C20H19N3O/c24-20(14-8-9-14)23-11-10-18-17(12-23)19(22-21-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14H,8-12H2,(H,21,22)
• InChIKey: BRSCAENTKYNJTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.985647
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9791853
• LogD (pH = 7.4): 2.9792566
• Log P: 2.9792578
• Molar Refractivity: 94.4704 cm^3
• Polarizability: 38.30969 Å^3
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.22
• LOG S: -4.26
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 2