4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidine

• ChemBase ID: 595675
• Molecular Formular: C19H19N5
• Molecular Mass: 317.38766
• Monoisotopic Mass: 317.16404563
• SMILES: c1(nc(nc2c1CCC2)c1ccccc1)N1Cc2n(cnc2)CC1
• Canonical SMILES: c1ccc(cc1)c1nc2CCCc2c(n1)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C19H19N5/c1-2-5-14(6-3-1)18-21-17-8-4-7-16(17)19(22-18)23-9-10-24-13-20-11-15(24)12-23/h1-3,5-6,11,13H,4,7-10,12H2
• InChIKey: YJPLJCUMNIDGHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidine
• IUPAC Traditional name: 4-{5H,6H,8H-imidazo[1,5-a]pyrazin-7-yl}-2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidine
• Synonyms: 7-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6588256
• LogD (pH = 7.4): 3.541541
• Log P: 3.5836523
• Molar Refractivity: 105.7055 cm^3
• Polarizability: 35.7124 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.1
• LOG S: -3.31
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 2