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N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

ChemBase ID: 470155
Molecular Formular: C16H19N7O
Molecular Mass: 325.36836
Monoisotopic Mass: 325.16510826
SMILES and InChIs

SMILES:
c1(nc2n(c1)CCNC2)C(=O)NC(c1nc2n(c1)cccn2)CC
Canonical SMILES:
CCC(c1cn2c(n1)nccc2)NC(=O)c1cn2c(n1)CNCC2
InChI:
InChI=1S/C16H19N7O/c1-2-11(12-9-23-6-3-4-18-16(23)21-12)20-15(24)13-10-22-7-5-17-8-14(22)19-13/h3-4,6,9-11,17H,2,5,7-8H2,1H3,(H,20,24)
InChIKey:
VWMSLPJJBWTZGJ-UHFFFAOYSA-N

Cite this record

CBID:470155 http://www.chembase.cn/molecule-470155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
IUPAC Traditional name
N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
Synonyms
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33907395 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
LOG S -2.66  Polar Surface Area 89.14 Å2
Rotatable Bonds H Acceptors
H Donor Log P -0.26 
Molar Refractivity 89.9585 cm3 Polarizability 33.44821 Å3
Polar Surface Area 89.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.220219 
H Acceptors H Donor
LogD (pH = 5.5) -1.3817408  LogD (pH = 7.4) -0.3311403 
Log P -0.2701104 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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