5-(4-fluorophenyl)-N-(1-methoxybutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 724898
• Molecular Formular: C17H19FN4O
• Molecular Mass: 314.3573632
• Monoisotopic Mass: 314.15428947
• SMILES: c1(n2c(nc(c1)c1ccc(cc1)F)ccn2)NC(COC)CC
• Canonical SMILES: COCC(Nc1cc(nc2n1ncc2)c1ccc(cc1)F)CC
• InChI: InChI=1S/C17H19FN4O/c1-3-14(11-23-2)20-17-10-15(12-4-6-13(18)7-5-12)21-16-8-9-19-22(16)17/h4-10,14,20H,3,11H2,1-2H3
• InChIKey: ANQRIOOEAQWCLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)-N-(1-methoxybutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(4-fluorophenyl)-N-(1-methoxybutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(4-fluorophenyl)-N-[1-(methoxymethyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2829022
• LogD (pH = 7.4): 3.2829409
• Log P: 3.2829413
• Molar Refractivity: 98.1876 cm^3
• Polarizability: 34.0179 Å^3
• Polar Surface Area: 51.45 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: 2.89
• LOG S: -3.96
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 6