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3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

ChemBase ID: 340221
Molecular Formular: C18H23N5O2S
Molecular Mass: 373.47252
Monoisotopic Mass: 373.157246
SMILES and InChIs

SMILES:
n12nc(cc1CNCC2)CCC(=O)N1CCN(C(=O)c2sccc2)CC1
Canonical SMILES:
O=C(N1CCN(CC1)C(=O)c1cccs1)CCc1nn2c(c1)CNCC2
InChI:
InChI=1S/C18H23N5O2S/c24-17(4-3-14-12-15-13-19-5-6-23(15)20-14)21-7-9-22(10-8-21)18(25)16-2-1-11-26-16/h1-2,11-12,19H,3-10,13H2
InChIKey:
GSKKIXDMJOMFOC-UHFFFAOYSA-N

Cite this record

CBID:340221 http://www.chembase.cn/molecule-340221.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
IUPAC Traditional name
3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
Synonyms
2-{3-oxo-3-[4-(2-thienylcarbonyl)-1-piperazinyl]propyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13841985 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) -1.9666901  LogD (pH = 7.4) -0.29287 
Log P 0.14564304  Molar Refractivity 111.1 cm3
Polarizability 37.89518 Å3 Polar Surface Area 70.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.64  LOG S -2.69 
Polar Surface Area 70.47 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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