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

• ChemBase ID: 770668
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c12c(n[nH]c1CCN(C2)CC(=O)N(C(C)C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: CC(N(C(=O)CN1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2)C)C
• InChI: InChI=1S/C22H26N4O/c1-15(2)25(3)21(27)14-26-12-11-20-19(13-26)22(24-23-20)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,15H,11-14H2,1-3H3,(H,23,24)
• InChIKey: PVRMQSXCTZAXCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.311816
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0438037
• LogD (pH = 7.4): 2.6002188
• Log P: 2.864343
• Molar Refractivity: 109.6676 cm^3
• Polarizability: 44.181324 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.51
• LOG S: -4.84
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 4