5-(methoxymethyl)-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 602862
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: n12c(nc(cc1NCCN1CCCCC1)COC)ccn2
• Canonical SMILES: COCc1cc(NCCN2CCCCC2)n2c(n1)ccn2
• InChI: InChI=1S/C15H23N5O/c1-21-12-13-11-15(20-14(18-13)5-6-17-20)16-7-10-19-8-3-2-4-9-19/h5-6,11,16H,2-4,7-10,12H2,1H3
• InChIKey: KTLYRKFQJSZERR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(methoxymethyl)-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(methoxymethyl)-N-[2-(1-piperidinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.9314747
• LogD (pH = 7.4): -0.20629565
• Log P: 1.041301
• Molar Refractivity: 94.4267 cm^3
• Polarizability: 31.58295 Å^3
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.52
• LOG S: -1.6
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 6