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5-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

ChemBase ID: 320174
Molecular Formular: C18H19FN4O
Molecular Mass: 326.3680632
Monoisotopic Mass: 326.15428947
SMILES and InChIs

SMILES:
n12c(nc(cc1NCCC1COCC1)c1ccc(cc1)F)ccn2
Canonical SMILES:
Fc1ccc(cc1)c1cc(NCCC2COCC2)n2c(n1)ccn2
InChI:
InChI=1S/C18H19FN4O/c19-15-3-1-14(2-4-15)16-11-18(23-17(22-16)6-9-21-23)20-8-5-13-7-10-24-12-13/h1-4,6,9,11,13,20H,5,7-8,10,12H2
InChIKey:
DSRUJKYQENZMLB-UHFFFAOYSA-N

Cite this record

CBID:320174 http://www.chembase.cn/molecule-320174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
IUPAC Traditional name
5-(4-fluorophenyl)-N-[2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
Synonyms
5-(4-fluorophenyl)-N-[2-(tetrahydro-3-furanyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.8125663  LogD (pH = 7.4) 2.8126056 
Log P 2.8126063  Molar Refractivity 101.4948 cm3
Polarizability 35.131657 Å3 Polar Surface Area 51.45 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.59  LOG S -3.79 
Polar Surface Area 51.45 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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