5-benzyl-1-(cyclopropylmethyl)-N-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 413948
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c12c(nn(c1CCN(C2)Cc1ccccc1)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)Cc1ccccc1)CC1CC1
• InChI: InChI=1S/C20H26N4O/c1-2-21-20(25)19-17-14-23(12-15-6-4-3-5-7-15)11-10-18(17)24(22-19)13-16-8-9-16/h3-7,16H,2,8-14H2,1H3,(H,21,25)
• InChIKey: SVJYHTGCOQZMFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.118092
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6618695
• LogD (pH = 7.4): 2.1702049
• Log P: 2.395716
• Molar Refractivity: 111.7079 cm^3
• Polarizability: 37.890305 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.7
• LOG S: -4.44
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5