5-{imidazo[1,2-a]pyridine-2-carbonyl}-N-(2-methoxyethyl)-1-(3-methylbutyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 582668
• Molecular Formular: C23H30N6O3
• Molecular Mass: 438.5227
• Monoisotopic Mass: 438.23793885
• SMILES: c12c(nn(c1CCN(C(=O)c1nc3n(c1)cccc3)C2)CCC(C)C)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1nn(c2c1CN(CC2)C(=O)c1nc2n(c1)cccc2)CCC(C)C
• InChI: InChI=1S/C23H30N6O3/c1-16(2)7-12-29-19-8-11-28(14-17(19)21(26-29)22(30)24-9-13-32-3)23(31)18-15-27-10-5-4-6-20(27)25-18/h4-6,10,15-16H,7-9,11-14H2,1-3H3,(H,24,30)
• InChIKey: PNJJYYOURPEKCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.966829
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3465426
• LogD (pH = 7.4): 1.350966
• Log P: 1.3510228
• Molar Refractivity: 134.3185 cm^3
• Polarizability: 45.547844 Å^3
• Polar Surface Area: 93.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.71
• LOG S: -6.0
• Polar Surface Area: 93.76 Å^2
• Rotatable Bonds: 6