N-phenyl-5-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)pyridin-2-amine

• ChemBase ID: 762898
• Molecular Formular: C20H19N7
• Molecular Mass: 357.41176
• Monoisotopic Mass: 357.17019364
• SMILES: c1(c2n(c3cnc(Nc4ccccc4)cc3)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: c1ccc(cc1)Nc1ccc(cn1)n1ccnc1c1nn2c(c1)CNCC2
• InChI: InChI=1S/C20H19N7/c1-2-4-15(5-3-1)24-19-7-6-16(14-23-19)26-10-9-22-20(26)18-12-17-13-21-8-11-27(17)25-18/h1-7,9-10,12,14,21H,8,11,13H2,(H,23,24)
• InChIKey: RDWIQEYXRYDUKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-5-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)pyridin-2-amine
• IUPAC Traditional name: N-phenyl-5-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)pyridin-2-amine
• Synonyms: N-phenyl-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1H-imidazol-1-yl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.175556
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.23086812
• LogD (pH = 7.4): 2.129434
• Log P: 2.6984267
• Molar Refractivity: 135.4387 cm^3
• Polarizability: 40.588886 Å^3
• Polar Surface Area: 72.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.64
• LOG S: -2.2
• Polar Surface Area: 72.59 Å^2
• Rotatable Bonds: 4