1-benzyl-5-[2-(cyclohex-1-en-1-yl)acetyl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 334045
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)C(=O)CC1=CCCCC1)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N(C)C)CC1=CCCCC1
• InChI: InChI=1S/C24H30N4O2/c1-26(2)24(30)23-20-17-27(22(29)15-18-9-5-3-6-10-18)14-13-21(20)28(25-23)16-19-11-7-4-8-12-19/h4,7-9,11-12H,3,5-6,10,13-17H2,1-2H3
• InChIKey: UPLKXVDBWIYQDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-[2-(cyclohex-1-en-1-yl)acetyl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-benzyl-5-[2-(cyclohex-1-en-1-yl)acetyl]-N,N-dimethyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-benzyl-5-(1-cyclohexen-1-ylacetyl)-N,N-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6054244
• LogD (pH = 7.4): 2.6054251
• Log P: 2.6054251
• Molar Refractivity: 130.8125 cm^3
• Polarizability: 44.776314 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.64
• LOG S: -5.03
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5