2-methyl-N-[1-(5-methylpyridin-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 511123
• Molecular Formular: C18H23N5
• Molecular Mass: 309.40872
• Monoisotopic Mass: 309.19534576
• SMILES: n12c(nc(cc1NC(c1ncc(cc1)C)C)C(C)C)cc(n2)C
• Canonical SMILES: Cc1ccc(nc1)C(Nc1cc(nc2n1nc(c2)C)C(C)C)C
• InChI: InChI=1S/C18H23N5/c1-11(2)16-9-18(23-17(21-16)8-13(4)22-23)20-14(5)15-7-6-12(3)10-19-15/h6-11,14,20H,1-5H3
• InChIKey: YMOBYOIELJDTCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[1-(5-methylpyridin-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-2-methyl-N-[1-(5-methylpyridin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-2-methyl-N-[1-(5-methyl-2-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3678963
• LogD (pH = 7.4): 3.3914533
• Log P: 3.3917625
• Molar Refractivity: 103.0737 cm^3
• Polarizability: 34.86993 Å^3
• Polar Surface Area: 55.11 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: 3.32
• LOG S: -2.99
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4