5-propyl-N-[(3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 533889
• Molecular Formular: C17H25N5O
• Molecular Mass: 315.4133
• Monoisotopic Mass: 315.20591045
• SMILES: c1(n2c(nc(c1)CCC)ccn2)N[C@@H]1[C@@H](N2CCCC2)COC1
• Canonical SMILES: CCCc1cc(N[C@H]2COC[C@@H]2N2CCCC2)n2c(n1)ccn2
• InChI: InChI=1S/C17H25N5O/c1-2-5-13-10-17(22-16(19-13)6-7-18-22)20-14-11-23-12-15(14)21-8-3-4-9-21/h6-7,10,14-15,20H,2-5,8-9,11-12H2,1H3/t14-,15-/m0/s1
• InChIKey: RCAOXWNUDUQQNJ-GJZGRUSLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propyl-N-[(3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-propyl-N-[(3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-propyl-N-[(3R*,4R*)-4-pyrrolidin-1-yltetrahydrofuran-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9253782
• LogD (pH = 7.4): 0.8446776
• Log P: 1.8169922
• Molar Refractivity: 101.0151 cm^3
• Polarizability: 34.463566 Å^3
• Polar Surface Area: 54.69 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: 2.98
• LOG S: -3.04
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 5