1-(furan-2-ylmethyl)-4-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}piperidine

• ChemBase ID: 428780
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c12c([nH]nc2)CCN(C1)CC1CCN(Cc2occc2)CC1
• Canonical SMILES: c1coc(c1)CN1CCC(CC1)CN1CCc2c(C1)cn[nH]2
• InChI: InChI=1S/C17H24N4O/c1-2-16(22-9-1)13-20-6-3-14(4-7-20)11-21-8-5-17-15(12-21)10-18-19-17/h1-2,9-10,14H,3-8,11-13H2,(H,18,19)
• InChIKey: VEDIHDGKOBKOSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-4-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}piperidine
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-4-{1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-ylmethyl}piperidine
• Synonyms: 5-{[1-(2-furylmethyl)-4-piperidinyl]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.032058
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.60581
• LogD (pH = 7.4): -1.1423594
• Log P: 1.2221414
• Molar Refractivity: 88.8582 cm^3
• Polarizability: 33.518707 Å^3
• Polar Surface Area: 48.3 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: 1.55
• LOG S: -1.71
• Polar Surface Area: 48.3 Å^2
• Rotatable Bonds: 4