5-{[2-(cyclopentyloxy)phenyl]methyl}-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 696520
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(c2c([nH]n1)CCN(C2)Cc1c(OC2CCCC2)cccc1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CN(CC2)Cc1ccccc1OC1CCCC1)C
• InChI: InChI=1S/C21H28N4O2/c1-24(2)21(26)20-17-14-25(12-11-18(17)22-23-20)13-15-7-3-6-10-19(15)27-16-8-4-5-9-16/h3,6-7,10,16H,4-5,8-9,11-14H2,1-2H3,(H,22,23)
• InChIKey: OUSGOSSHVDKNBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[2-(cyclopentyloxy)phenyl]methyl}-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-{[2-(cyclopentyloxy)phenyl]methyl}-N,N-dimethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[2-(cyclopentyloxy)benzyl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.942875
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3904349
• LogD (pH = 7.4): 2.485156
• Log P: 2.5553613
• Molar Refractivity: 107.5744 cm^3
• Polarizability: 40.488857 Å^3
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.02
• LOG S: -2.76
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 5