5-{[2-(cyclopentyloxy)phenyl]methyl}-N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 543063
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: c1(c2c(n[nH]1)CCN(C2)Cc1c(OC2CCCC2)cccc1)C(=O)NC
• Canonical SMILES: CNC(=O)c1[nH]nc2c1CN(CC2)Cc1ccccc1OC1CCCC1
• InChI: InChI=1S/C20H26N4O2/c1-21-20(25)19-16-13-24(11-10-17(16)22-23-19)12-14-6-2-5-9-18(14)26-15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3,(H,21,25)(H,22,23)
• InChIKey: RRAYCFUUIZMPPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[2-(cyclopentyloxy)phenyl]methyl}-N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-{[2-(cyclopentyloxy)phenyl]methyl}-N-methyl-2H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[2-(cyclopentyloxy)benzyl]-N-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.396582
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0771608
• LogD (pH = 7.4): 2.1368804
• Log P: 2.2043598
• Molar Refractivity: 102.3615 cm^3
• Polarizability: 38.64522 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: 1.12
• LOG S: -2.74
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 5