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1-(morpholin-4-yl)-3-[5-(propane-2-sulfonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one

ChemBase ID: 360406
Molecular Formular: C16H26N4O4S
Molecular Mass: 370.46704
Monoisotopic Mass: 370.16747633
SMILES and InChIs

SMILES:
S(=O)(=O)(N1Cc2n(nc(c2)CCC(=O)N2CCOCC2)CC1)C(C)C
Canonical SMILES:
O=C(N1CCOCC1)CCc1nn2c(c1)CN(CC2)S(=O)(=O)C(C)C
InChI:
InChI=1S/C16H26N4O4S/c1-13(2)25(22,23)19-5-6-20-15(12-19)11-14(17-20)3-4-16(21)18-7-9-24-10-8-18/h11,13H,3-10,12H2,1-2H3
InChIKey:
YIQFKZKFGMRQHO-UHFFFAOYSA-N

Cite this record

CBID:360406 http://www.chembase.cn/molecule-360406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(morpholin-4-yl)-3-[5-(propane-2-sulfonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one
IUPAC Traditional name
1-(morpholin-4-yl)-3-[5-(propane-2-sulfonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-one
Synonyms
5-(isopropylsulfonyl)-2-[3-(4-morpholinyl)-3-oxopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

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) -0.7312322  LogD (pH = 7.4) -0.73118526 
Log P -0.73118466  Molar Refractivity 104.8747 cm3
Polarizability 36.92465 Å3 Polar Surface Area 84.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.08  LOG S -3.14 
Polar Surface Area 84.74 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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