N-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 436062
• Molecular Formular: C23H22N6O2
• Molecular Mass: 414.45978
• Monoisotopic Mass: 414.18042397
• SMILES: c12c(nn(c1CCN(C(=O)c1nc3n(c1)cccc3)C2)C)C(=O)NCc1ccccc1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N1CCc2c(C1)c(nn2C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C23H22N6O2/c1-27-19-10-12-29(23(31)18-15-28-11-6-5-9-20(28)25-18)14-17(19)21(26-27)22(30)24-13-16-7-3-2-4-8-16/h2-9,11,15H,10,12-14H2,1H3,(H,24,30)
• InChIKey: JOKZRLKVCJAYRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-benzyl-5-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.975308
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.507073
• LogD (pH = 7.4): 1.5114965
• Log P: 1.5115533
• Molar Refractivity: 129.4654 cm^3
• Polarizability: 43.371952 Å^3
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.63
• LOG S: -6.29
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 4