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2-{[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-3-methylpyrazine

ChemBase ID: 510261
Molecular Formular: C18H17F2N5
Molecular Mass: 341.3578864
Monoisotopic Mass: 341.14520201
SMILES and InChIs

SMILES:
c1(nc2c([nH]1)CCN(C2)Cc1nccnc1C)c1c(cc(cc1)F)F
Canonical SMILES:
Fc1ccc(c(c1)F)c1nc2c([nH]1)CCN(C2)Cc1nccnc1C
InChI:
InChI=1S/C18H17F2N5/c1-11-16(22-6-5-21-11)9-25-7-4-15-17(10-25)24-18(23-15)13-3-2-12(19)8-14(13)20/h2-3,5-6,8H,4,7,9-10H2,1H3,(H,23,24)
InChIKey:
BMFRITZQIRHDEY-UHFFFAOYSA-N

Cite this record

CBID:510261 http://www.chembase.cn/molecule-510261.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-3-methylpyrazine
IUPAC Traditional name
2-{[2-(2,4-difluorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-3-methylpyrazine
Synonyms
2-(2,4-difluorophenyl)-5-[(3-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40497912 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 11.794257  H Acceptors
H Donor LogD (pH = 5.5) 0.12834242 
LogD (pH = 7.4) 1.3361741  Log P 1.4209771 
Molar Refractivity 100.2333 cm3 Polarizability 34.395275 Å3
Polar Surface Area 57.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.01  LOG S -1.54 
Polar Surface Area 57.7 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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