5-{[5-(oxan-2-yl)furan-2-yl]methyl}-3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 841876
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: c12c(n[nH]c1CCN(C2)Cc1oc(cc1)C1OCCCC1)C(C)C
• Canonical SMILES: CC(c1n[nH]c2c1CN(CC2)Cc1ccc(o1)C1CCCCO1)C
• InChI: InChI=1S/C19H27N3O2/c1-13(2)19-15-12-22(9-8-16(15)20-21-19)11-14-6-7-18(24-14)17-5-3-4-10-23-17/h6-7,13,17H,3-5,8-12H2,1-2H3,(H,20,21)
• InChIKey: PCWXJOMEZDPVOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[5-(oxan-2-yl)furan-2-yl]methyl}-3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 3-isopropyl-5-{[5-(oxan-2-yl)furan-2-yl]methyl}-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-isopropyl-5-{[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.7308445
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1981411
• LogD (pH = 7.4): 2.6350458
• Log P: 2.815538
• Molar Refractivity: 95.6388 cm^3
• Polarizability: 36.282623 Å^3
• Polar Surface Area: 54.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.64
• LOG S: -2.85
• Polar Surface Area: 54.29 Å^2
• Rotatable Bonds: 4