3-ethyl-5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 421909
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: c12c([nH]nc1CC)CCN(C2)Cc1c(cc2c(c1)CCC2)OC
• Canonical SMILES: COc1cc2CCCc2cc1CN1CCc2c(C1)c(CC)n[nH]2
• InChI: InChI=1S/C19H25N3O/c1-3-17-16-12-22(8-7-18(16)21-20-17)11-15-9-13-5-4-6-14(13)10-19(15)23-2/h9-10H,3-8,11-12H2,1-2H3,(H,20,21)
• InChIKey: QFFKTGODSDDUGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 3-ethyl-5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-ethyl-5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.79242
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4966104
• LogD (pH = 7.4): 3.073381
• Log P: 3.356408
• Molar Refractivity: 94.761 cm^3
• Polarizability: 35.57102 Å^3
• Polar Surface Area: 41.15 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: 3.63
• LOG S: -3.56
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 4