5-ethyl-2,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 430087
• Molecular Formular: C16H25N5
• Molecular Mass: 287.4032
• Monoisotopic Mass: 287.21099583
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCC1CCNCC1)CC
• Canonical SMILES: CCc1cc(NCC2CCNCC2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C16H25N5/c1-4-14-9-15(18-10-13-5-7-17-8-6-13)21-16(19-14)11(2)12(3)20-21/h9,13,17-18H,4-8,10H2,1-3H3
• InChIKey: NJGBONWFMNRQNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-2,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-2,3-dimethyl-N-(4-piperidinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4357201
• LogD (pH = 7.4): -0.97659355
• Log P: 1.7960982
• Molar Refractivity: 97.0462 cm^3
• Polarizability: 32.494656 Å^3
• Polar Surface Area: 54.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.93
• LOG S: -2.79
• Polar Surface Area: 54.25 Å^2
• Rotatable Bonds: 4