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2-(morpholin-4-yl)-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2-(pyridin-3-yl)acetamide

ChemBase ID: 510219
Molecular Formular: C18H20N6O2
Molecular Mass: 352.3904
Monoisotopic Mass: 352.16477391
SMILES and InChIs

SMILES:
c12n(ncc1CNC(=O)C(N1CCOCC1)c1cnccc1)cccn2
Canonical SMILES:
O=C(C(c1cccnc1)N1CCOCC1)NCc1cnn2c1nccc2
InChI:
InChI=1S/C18H20N6O2/c25-18(21-12-15-13-22-24-6-2-5-20-17(15)24)16(14-3-1-4-19-11-14)23-7-9-26-10-8-23/h1-6,11,13,16H,7-10,12H2,(H,21,25)
InChIKey:
CRMXQJVZFMCFFY-UHFFFAOYSA-N

Cite this record

CBID:510219 http://www.chembase.cn/molecule-510219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(morpholin-4-yl)-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2-(pyridin-3-yl)acetamide
IUPAC Traditional name
2-(morpholin-4-yl)-N-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2-(pyridin-3-yl)acetamide
Synonyms
2-(4-morpholinyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-(3-pyridinyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40492277 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.616851  H Acceptors
H Donor LogD (pH = 5.5) -0.102305725 
LogD (pH = 7.4) -0.011933754  Log P -0.010657325 
Molar Refractivity 106.3953 cm3 Polarizability 36.682976 Å3
Polar Surface Area 84.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -1.12  LOG S -0.82 
Polar Surface Area 84.65 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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