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{[5-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)(1,2-oxazol-3-ylmethyl)amine

ChemBase ID: 340253
Molecular Formular: C19H22N6O3
Molecular Mass: 382.41638
Monoisotopic Mass: 382.17533859
SMILES and InChIs

SMILES:
c1(C(=O)N2Cc3n(nc(c3)CN(Cc3nocc3)C)CC2)c(C2CC2)ocn1
Canonical SMILES:
CN(Cc1nocc1)Cc1nn2c(c1)CN(CC2)C(=O)c1ncoc1C1CC1
InChI:
InChI=1S/C19H22N6O3/c1-23(9-14-4-7-28-22-14)10-15-8-16-11-24(5-6-25(16)21-15)19(26)17-18(13-2-3-13)27-12-20-17/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3
InChIKey:
YQHGUSSIBALCMV-UHFFFAOYSA-N

Cite this record

CBID:340253 http://www.chembase.cn/molecule-340253.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[5-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)(1,2-oxazol-3-ylmethyl)amine
IUPAC Traditional name
{[5-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)(1,2-oxazol-3-ylmethyl)amine
Synonyms
({5-[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)(3-isoxazolylmethyl)methylamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13846173 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) 0.13566162  LogD (pH = 7.4) 0.31366426 
Log P 0.31647903  Molar Refractivity 112.5877 cm3
Polarizability 37.7817 Å3 Polar Surface Area 93.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -1.58  LOG S -1.95 
Polar Surface Area 93.43 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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