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6-(2-fluoro-4-methoxyphenyl)-7-methyl-2-(2-propyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one

ChemBase ID: 340172
Molecular Formular: C22H23FN4O3
Molecular Mass: 410.4414232
Monoisotopic Mass: 410.17541884
SMILES and InChIs

SMILES:
c1(nc2n(cc(n(c2=O)C)c2c(cc(cc2)OC)F)c1)C(=O)N1C(C=CC1)CCC
Canonical SMILES:
CCCC1C=CCN1C(=O)c1nc2n(c1)cc(n(c2=O)C)c1ccc(cc1F)OC
InChI:
InChI=1S/C22H23FN4O3/c1-4-6-14-7-5-10-27(14)21(28)18-12-26-13-19(25(2)22(29)20(26)24-18)16-9-8-15(30-3)11-17(16)23/h5,7-9,11-14H,4,6,10H2,1-3H3
InChIKey:
XGEKEWHUCPVLAW-UHFFFAOYSA-N

Cite this record

CBID:340172 http://www.chembase.cn/molecule-340172.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2-fluoro-4-methoxyphenyl)-7-methyl-2-(2-propyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-7H,8H-imidazo[1,2-a]pyrazin-8-one
IUPAC Traditional name
6-(2-fluoro-4-methoxyphenyl)-7-methyl-2-(2-propyl-2,5-dihydropyrrole-1-carbonyl)imidazo[1,2-a]pyrazin-8-one
Synonyms
6-(2-fluoro-4-methoxyphenyl)-7-methyl-2-[(2-propyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]imidazo[1,2-a]pyrazin-8(7H)-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13834716 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) 2.6468637  LogD (pH = 7.4) 2.646864 
Log P 2.646864  Molar Refractivity 112.423 cm3
Polarizability 41.27064 Å3 Polar Surface Area 67.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.05  LOG S -3.94 
Polar Surface Area 68.84 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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