2,3,5-trimethyl-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 662218
• Molecular Formular: C17H24N6
• Molecular Mass: 312.41266
• Monoisotopic Mass: 312.2062448
• SMILES: n12c(c(c(n2)C)C)nc(cc1NC(c1n(ccn1)C)C(C)C)C
• Canonical SMILES: Cc1cc(NC(c2nccn2C)C(C)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C17H24N6/c1-10(2)15(17-18-7-8-22(17)6)20-14-9-11(3)19-16-12(4)13(5)21-23(14)16/h7-10,15,20H,1-6H3
• InChIKey: WZEMEXSUZYHNST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trimethyl-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,3,5-trimethyl-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,3,5-trimethyl-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8425021
• LogD (pH = 7.4): 2.335381
• Log P: 2.3503087
• Molar Refractivity: 102.7255 cm^3
• Polarizability: 34.340157 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.63
• LOG S: -3.72
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 4