8-methoxy-2-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}quinoline

• ChemBase ID: 437350
• Molecular Formular: C17H18N4O
• Molecular Mass: 294.35102
• Monoisotopic Mass: 294.14806122
• SMILES: c12c([nH]nc2)CCN(C1)Cc1nc2c(OC)cccc2cc1
• Canonical SMILES: COc1cccc2c1nc(cc2)CN1CCc2c(C1)cn[nH]2
• InChI: InChI=1S/C17H18N4O/c1-22-16-4-2-3-12-5-6-14(19-17(12)16)11-21-8-7-15-13(10-21)9-18-20-15/h2-6,9H,7-8,10-11H2,1H3,(H,18,20)
• InChIKey: SOIIBYFBSSWPFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}quinoline
• IUPAC Traditional name: 8-methoxy-2-{1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}quinoline
• Synonyms: 8-methoxy-2-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)quinoline

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.031632
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.061246265
• LogD (pH = 7.4): 1.5464725
• Log P: 1.7559432
• Molar Refractivity: 86.0605 cm^3
• Polarizability: 33.96394 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.08
• LOG S: -2.63
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 2