2,5-dimethyl-3-(4-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)pyrazine

• ChemBase ID: 754000
• Molecular Formular: C19H25N7
• Molecular Mass: 351.4487
• Monoisotopic Mass: 351.21714384
• SMILES: n12c(c(c(n2)C)C)nc(cc1N1CCN(c2nc(cnc2C)C)CC1)C
• Canonical SMILES: Cc1cnc(c(n1)N1CCN(CC1)c1cc(C)nc2n1nc(c2C)C)C
• InChI: InChI=1S/C19H25N7/c1-12-10-17(26-18(21-12)14(3)15(4)23-26)24-6-8-25(9-7-24)19-16(5)20-11-13(2)22-19/h10-11H,6-9H2,1-5H3
• InChIKey: AQBJHWWFOMFWNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-(4-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2,5-dimethyl-3-(4-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)pyrazine
• Synonyms: 7-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7856767
• LogD (pH = 7.4): 1.7865509
• Log P: 1.786562
• Molar Refractivity: 113.411 cm^3
• Polarizability: 37.920757 Å^3
• Polar Surface Area: 62.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.75
• LOG S: -4.11
• Polar Surface Area: 62.45 Å^2
• Rotatable Bonds: 2