N-[2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 824936
• Molecular Formular: C16H23N7
• Molecular Mass: 313.40072
• Monoisotopic Mass: 313.20149377
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)NC(c1ncnn1C)C(C)C
• Canonical SMILES: CC(C(c1ncnn1C)Nc1cc(nc2n1ncc2)C(C)C)C
• InChI: InChI=1S/C16H23N7/c1-10(2)12-8-14(23-13(20-12)6-7-18-23)21-15(11(3)4)16-17-9-19-22(16)5/h6-11,15,21H,1-5H3
• InChIKey: QYZLILQFEWZWEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-N-[2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5850873
• LogD (pH = 7.4): 2.5851724
• Log P: 2.5851736
• Molar Refractivity: 112.5202 cm^3
• Polarizability: 33.62009 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.11
• LOG S: -3.29
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 5