N-benzyl-1-methyl-5-[(4-methyl-1H-imidazol-2-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 795485
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c12c(nn(c1CCN(C2)Cc1nc(c[nH]1)C)C)C(=O)NCc1ccccc1
• Canonical SMILES: Cc1c[nH]c(n1)CN1CCc2c(C1)c(nn2C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C20H24N6O/c1-14-10-21-18(23-14)13-26-9-8-17-16(12-26)19(24-25(17)2)20(27)22-11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-13H2,1-2H3,(H,21,23)(H,22,27)
• InChIKey: VMOZFXKNNSRNBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.748039
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3547583
• LogD (pH = 7.4): 1.0443959
• Log P: 1.0688703
• Molar Refractivity: 116.5032 cm^3
• Polarizability: 39.42804 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.26
• LOG S: -4.33
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5