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{[5-(ethanesulfonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amine

ChemBase ID: 340672
Molecular Formular: C16H26N6O3S
Molecular Mass: 382.48104
Monoisotopic Mass: 382.17870972
SMILES and InChIs

SMILES:
S(=O)(=O)(N1Cc2n(nc(c2)CN(Cc2nc(on2)CCC)C)CC1)CC
Canonical SMILES:
CCCc1onc(n1)CN(Cc1cc2n(n1)CCN(C2)S(=O)(=O)CC)C
InChI:
InChI=1S/C16H26N6O3S/c1-4-6-16-17-15(19-25-16)12-20(3)10-13-9-14-11-21(26(23,24)5-2)7-8-22(14)18-13/h9H,4-8,10-12H2,1-3H3
InChIKey:
JMMIOKZTJYEDEW-UHFFFAOYSA-N

Cite this record

CBID:340672 http://www.chembase.cn/molecule-340672.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[5-(ethanesulfonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amine
IUPAC Traditional name
{[5-(ethanesulfonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amine
Synonyms
1-[5-(ethylsulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13912073 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) 0.7192254  LogD (pH = 7.4) 0.74031514 
Log P 0.74059075  Molar Refractivity 110.5857 cm3
Polarizability 38.210754 Å3 Polar Surface Area 97.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.58  LOG S -1.48 
Polar Surface Area 97.36 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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