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N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

ChemBase ID: 370591
Molecular Formular: C17H24N8O
Molecular Mass: 356.42546
Monoisotopic Mass: 356.20730743
SMILES and InChIs

SMILES:
n1c2c(nc(c1N1CCCCC1)N(CCc1c([nH]nc1C)C)C)non2
Canonical SMILES:
CN(c1nc2nonc2nc1N1CCCCC1)CCc1c(C)n[nH]c1C
InChI:
InChI=1S/C17H24N8O/c1-11-13(12(2)21-20-11)7-10-24(3)16-17(25-8-5-4-6-9-25)19-15-14(18-16)22-26-23-15/h4-10H2,1-3H3,(H,20,21)
InChIKey:
LGJJDAXFFUDGJZ-UHFFFAOYSA-N

Cite this record

CBID:370591 http://www.chembase.cn/molecule-370591.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
IUPAC Traditional name
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Synonyms
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(1-piperidinyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 18292135 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 16.273823  H Acceptors
H Donor LogD (pH = 5.5) 2.4378867 
LogD (pH = 7.4) 2.4415052  Log P 2.4415514 
Molar Refractivity 105.389 cm3 Polarizability 36.05474 Å3
Polar Surface Area 99.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.28  LOG S -4.92 
Polar Surface Area 99.86 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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