1-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole

• ChemBase ID: 593564
• Molecular Formular: C17H19N7
• Molecular Mass: 321.37966
• Monoisotopic Mass: 321.17019364
• SMILES: c1(nn2c(c1)CNCC2)c1n(Cc2nc3c(cn2)CCC3)ccn1
• Canonical SMILES: N1CCn2c(C1)cc(n2)c1nccn1Cc1ncc2c(n1)CCC2
• InChI: InChI=1S/C17H19N7/c1-2-12-9-20-16(21-14(12)3-1)11-23-6-5-19-17(23)15-8-13-10-18-4-7-24(13)22-15/h5-6,8-9,18H,1-4,7,10-11H2
• InChIKey: QDRDKUHXOVUADH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole
• IUPAC Traditional name: 1-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazole
• Synonyms: 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1H-imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1804398
• LogD (pH = 7.4): 0.6367282
• Log P: 1.2049869
• Molar Refractivity: 111.944 cm^3
• Polarizability: 34.67401 Å^3
• Polar Surface Area: 73.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.61
• LOG S: -1.32
• Polar Surface Area: 73.45 Å^2
• Rotatable Bonds: 3