N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 406182
• Molecular Formular: C26H32N4O3
• Molecular Mass: 448.55728
• Monoisotopic Mass: 448.2474409
• SMILES: c12c(nn(c1CCN(C2)Cc1oc(cc1)C)Cc1ccc(cc1)OC)C(=O)NC1CCCC1
• Canonical SMILES: COc1ccc(cc1)Cn1nc(c2c1CCN(C2)Cc1ccc(o1)C)C(=O)NC1CCCC1
• InChI: InChI=1S/C26H32N4O3/c1-18-7-10-22(33-18)16-29-14-13-24-23(17-29)25(26(31)27-20-5-3-4-6-20)28-30(24)15-19-8-11-21(32-2)12-9-19/h7-12,20H,3-6,13-17H2,1-2H3,(H,27,31)
• InChIKey: VJLBDJOOIZRPTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-1-(4-methoxybenzyl)-5-[(5-methyl-2-furyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.213346
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.076998
• LogD (pH = 7.4): 3.332604
• Log P: 3.4396422
• Molar Refractivity: 140.0469 cm^3
• Polarizability: 48.63414 Å^3
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 4.03
• LOG S: -6.0
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 6