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

• ChemBase ID: 791204
• Molecular Formular: C23H32N4O2
• Molecular Mass: 396.52578
• Monoisotopic Mass: 396.25252628
• SMILES: c1(c2c(n(n1)CCc1ccc(cc1)OC)CCN(C2)C1CCCC1)C(=O)N(C)C
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)C1CCCC1)C(=O)N(C)C
• InChI: InChI=1S/C23H32N4O2/c1-25(2)23(28)22-20-16-26(18-6-4-5-7-18)14-13-21(20)27(24-22)15-12-17-8-10-19(29-3)11-9-17/h8-11,18H,4-7,12-16H2,1-3H3
• InChIKey: FOOGCIPUYNVRKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5183218
• LogD (pH = 7.4): 2.280331
• Log P: 2.9676986
• Molar Refractivity: 127.5454 cm^3
• Polarizability: 44.015144 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.52
• LOG S: -4.23
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 5