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2,5-dimethyl-3-{4-[6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}pyrazine

ChemBase ID: 340211
Molecular Formular: C19H25N9O
Molecular Mass: 395.4615
Monoisotopic Mass: 395.21820647
SMILES and InChIs

SMILES:
n1c2c(nc(c1N1CCCCC1)N1CCN(c3nc(cnc3C)C)CC1)non2
Canonical SMILES:
Cc1cnc(c(n1)N1CCN(CC1)c1nc2nonc2nc1N1CCCCC1)C
InChI:
InChI=1S/C19H25N9O/c1-13-12-20-14(2)17(21-13)27-8-10-28(11-9-27)19-18(26-6-4-3-5-7-26)22-15-16(23-19)25-29-24-15/h12H,3-11H2,1-2H3
InChIKey:
IYGADAFRHSVUCS-UHFFFAOYSA-N

Cite this record

CBID:340211 http://www.chembase.cn/molecule-340211.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dimethyl-3-{4-[6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}pyrazine
IUPAC Traditional name
2,5-dimethyl-3-{4-[6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}pyrazine
Synonyms
5-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-6-(1-piperidinyl)[1,2,5]oxadiazolo[3,4-b]pyrazine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13840605 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)
H Acceptors H Donor
LogD (pH = 5.5) 1.95283  LogD (pH = 7.4) 1.9533874 
Log P 1.9533944  Molar Refractivity 114.3241 cm3
Polarizability 39.801025 Å3 Polar Surface Area 100.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.5  LOG S -4.5 
Polar Surface Area 100.2 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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