N-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 851528
• Molecular Formular: C20H24N6
• Molecular Mass: 348.44476
• Monoisotopic Mass: 348.2062448
• SMILES: n12c(nc(cc1NCCc1nc3c(n1CC)cccc3)C(C)C)ccn2
• Canonical SMILES: CCn1c(CCNc2cc(nc3n2ncc3)C(C)C)nc2c1cccc2
• InChI: InChI=1S/C20H24N6/c1-4-25-17-8-6-5-7-15(17)23-18(25)9-11-21-20-13-16(14(2)3)24-19-10-12-22-26(19)20/h5-8,10,12-14,21H,4,9,11H2,1-3H3
• InChIKey: NVEYVSIEGBGHNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(1-ethyl-1,3-benzodiazol-2-yl)ethyl]-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[2-(1-ethyl-1H-benzimidazol-2-yl)ethyl]-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9838989
• LogD (pH = 7.4): 3.478291
• Log P: 3.4913285
• Molar Refractivity: 114.2084 cm^3
• Polarizability: 40.098217 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.31
• LOG S: -6.53
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6