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

• ChemBase ID: 586171
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: n12c(nc(cc1NCCCN1CCCC1)COC)ccn2
• Canonical SMILES: COCc1cc(NCCCN2CCCC2)n2c(n1)ccn2
• InChI: InChI=1S/C15H23N5O/c1-21-12-13-11-15(20-14(18-13)5-7-17-20)16-6-4-10-19-8-2-3-9-19/h5,7,11,16H,2-4,6,8-10,12H2,1H3
• InChIKey: VBDLVDUEIQJOFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-[3-(pyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(methoxymethyl)-N-[3-(pyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(methoxymethyl)-N-[3-(1-pyrrolidinyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7072847
• LogD (pH = 7.4): -1.3632306
• Log P: 0.6566921
• Molar Refractivity: 94.6911 cm^3
• Polarizability: 31.582977 Å^3
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.28
• LOG S: -1.4
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 7