2-methyl-N-{[5-(2-methylpropyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 651956
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: c1(n2c(nc1C)cccc2)C(=O)NCc1nn2c(c1)CN(CC2)CC(C)C
• Canonical SMILES: CC(CN1CCn2c(C1)cc(n2)CNC(=O)c1c(C)nc2n1cccc2)C
• InChI: InChI=1S/C20H26N6O/c1-14(2)12-24-8-9-26-17(13-24)10-16(23-26)11-21-20(27)19-15(3)22-18-6-4-5-7-25(18)19/h4-7,10,14H,8-9,11-13H2,1-3H3,(H,21,27)
• InChIKey: FSTOLCPCDHCPIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-{[5-(2-methylpropyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: 2-methyl-N-{[5-(2-methylpropyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}imidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: N-[(5-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.816107
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5226163
• LogD (pH = 7.4): 0.31285906
• Log P: 1.0532182
• Molar Refractivity: 117.5697 cm^3
• Polarizability: 39.740177 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.89
• LOG S: -3.49
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 5