2-methyl-N-[(2-methylphenyl)(pyridin-4-yl)methyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 499853
• Molecular Formular: C23H25N5
• Molecular Mass: 371.4781
• Monoisotopic Mass: 371.21099583
• SMILES: n12c(nc(cc1NC(c1c(C)cccc1)c1ccncc1)C(C)C)cc(n2)C
• Canonical SMILES: Cc1cc2n(n1)c(cc(n2)C(C)C)NC(c1ccccc1C)c1ccncc1
• InChI: InChI=1S/C23H25N5/c1-15(2)20-14-22(28-21(25-20)13-17(4)27-28)26-23(18-9-11-24-12-10-18)19-8-6-5-7-16(19)3/h5-15,23,26H,1-4H3
• InChIKey: NYBYJPCQDQMZPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[(2-methylphenyl)(pyridin-4-yl)methyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-2-methyl-N-[(2-methylphenyl)(pyridin-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-2-methyl-N-[(2-methylphenyl)(4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.419102
• LogD (pH = 7.4): 4.524199
• Log P: 4.5257664
• Molar Refractivity: 123.3848 cm^3
• Polarizability: 42.632668 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.46
• LOG S: -4.42
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5