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4-[1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

ChemBase ID: 510286
Molecular Formular: C18H23N5O
Molecular Mass: 325.40812
Monoisotopic Mass: 325.19026038
SMILES and InChIs

SMILES:
c12n(ncc1CN1C(c3c(onc3C)C)CCC1)c(cc(n2)C)C
Canonical SMILES:
Cc1cc(C)n2c(n1)c(cn2)CN1CCCC1c1c(C)noc1C
InChI:
InChI=1S/C18H23N5O/c1-11-8-12(2)23-18(20-11)15(9-19-23)10-22-7-5-6-16(22)17-13(3)21-24-14(17)4/h8-9,16H,5-7,10H2,1-4H3
InChIKey:
CRUUKSYLRIJURR-UHFFFAOYSA-N

Cite this record

CBID:510286 http://www.chembase.cn/molecule-510286.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
IUPAC Traditional name
4-[1-({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
Synonyms
3-{[2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-yl]methyl}-5,7-dimethylpyrazolo[1,5-a]pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.41337016  LogD (pH = 7.4) 1.3040979 
Log P 1.8108155  Molar Refractivity 105.0645 cm3
Polarizability 35.018456 Å3 Polar Surface Area 59.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.42  LOG S -1.78 
Polar Surface Area 59.46 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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