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

• ChemBase ID: 462026
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: c12c(nn(c1CCN(C2)Cc1ccc(cc1)O)C)C(=O)NC1CCCC1
• Canonical SMILES: Oc1ccc(cc1)CN1CCc2c(C1)c(nn2C)C(=O)NC1CCCC1
• InChI: InChI=1S/C20H26N4O2/c1-23-18-10-11-24(12-14-6-8-16(25)9-7-14)13-17(18)19(22-23)20(26)21-15-4-2-3-5-15/h6-9,15,25H,2-5,10-13H2,1H3,(H,21,26)
• InChIKey: BQJJCMJQZKIVDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.490701
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8354938
• LogD (pH = 7.4): 2.170555
• Log P: 2.309467
• Molar Refractivity: 113.4114 cm^3
• Polarizability: 38.497307 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.0
• LOG S: -4.38
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 4