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

• ChemBase ID: 859654
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c12c(n[nH]c1CCN(C2)C)C(=O)NCC1(c2ccc(cc2)OC)CCCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCCC1)CNC(=O)c1n[nH]c2c1CN(C)CC2
• InChI: InChI=1S/C21H28N4O2/c1-25-12-9-18-17(13-25)19(24-23-18)20(26)22-14-21(10-3-4-11-21)15-5-7-16(27-2)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,22,26)(H,23,24)
• InChIKey: WOLSVOKJAXROMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.028793
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.78626645
• LogD (pH = 7.4): 2.2358503
• Log P: 2.3436174
• Molar Refractivity: 107.289 cm^3
• Polarizability: 40.49004 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.77
• LOG S: -3.4
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 5