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2,N3,N3-trimethyl-N7-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide

ChemBase ID: 323176
Molecular Formular: C21H27N5O2
Molecular Mass: 381.47138
Monoisotopic Mass: 381.21647513
SMILES and InChIs

SMILES:
c1(n2c(nc1C)CN(C(=O)Nc1c3c(ccc1)CCCC3)CC2)C(=O)N(C)C
Canonical SMILES:
O=C(N1CCn2c(C1)nc(c2C(=O)N(C)C)C)Nc1cccc2c1CCCC2
InChI:
InChI=1S/C21H27N5O2/c1-14-19(20(27)24(2)3)26-12-11-25(13-18(26)22-14)21(28)23-17-10-6-8-15-7-4-5-9-16(15)17/h6,8,10H,4-5,7,9,11-13H2,1-3H3,(H,23,28)
InChIKey:
IQPDTSVQHNRBJK-UHFFFAOYSA-N

Cite this record

CBID:323176 http://www.chembase.cn/molecule-323176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,N3,N3-trimethyl-N7-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide
IUPAC Traditional name
2,N3,N3-trimethyl-N7-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3,7-dicarboxamide
Synonyms
N~3~,N~3~,2-trimethyl-N~7~-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6-dihydroimidazo[1,2-a]pyrazine-3,7(8H)-dicarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11394796 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)
Acid pKa 13.456795  H Acceptors
H Donor LogD (pH = 5.5) 1.838884 
LogD (pH = 7.4) 1.8574587  Log P 1.8577014 
Molar Refractivity 110.0362 cm3 Polarizability 40.48849 Å3
Polar Surface Area 70.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.29  LOG S -3.08 
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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