N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 864374
• Molecular Formular: C16H17N7
• Molecular Mass: 307.35308
• Monoisotopic Mass: 307.15454358
• SMILES: n12c(nc(cc1NCc1nc3n(c1)cccn3)C(C)C)ccn2
• Canonical SMILES: CC(c1cc(NCc2cn3c(n2)nccc3)n2c(n1)ccn2)C
• InChI: InChI=1S/C16H17N7/c1-11(2)13-8-15(23-14(21-13)4-6-19-23)18-9-12-10-22-7-3-5-17-16(22)20-12/h3-8,10-11,18H,9H2,1-2H3
• InChIKey: BFNGTBOZOGGVLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2287028
• LogD (pH = 7.4): 1.2299126
• Log P: 1.2299281
• Molar Refractivity: 99.8356 cm^3
• Polarizability: 32.484974 Å^3
• Polar Surface Area: 72.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.73
• LOG S: -2.92
• Polar Surface Area: 72.41 Å^2
• Rotatable Bonds: 4