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2,5-dimethyl-3-{4-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrazine

ChemBase ID: 341087
Molecular Formular: C20H24N6
Molecular Mass: 348.44476
Monoisotopic Mass: 348.2062448
SMILES and InChIs

SMILES:
n1(c(ncc1)C1CCN(c2nc(cnc2C)C)CC1)Cc1ccncc1
Canonical SMILES:
Cc1cnc(c(n1)N1CCC(CC1)c1nccn1Cc1ccncc1)C
InChI:
InChI=1S/C20H24N6/c1-15-13-23-16(2)19(24-15)25-10-5-18(6-11-25)20-22-9-12-26(20)14-17-3-7-21-8-4-17/h3-4,7-9,12-13,18H,5-6,10-11,14H2,1-2H3
InChIKey:
NUVLUUNPWOMWDH-UHFFFAOYSA-N

Cite this record

CBID:341087 http://www.chembase.cn/molecule-341087.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dimethyl-3-{4-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrazine
IUPAC Traditional name
2,5-dimethyl-3-{4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyrazine
Synonyms
2,5-dimethyl-3-{4-[1-(4-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 0.291303  LogD (pH = 7.4) 1.3745598 
Log P 1.5079163  Molar Refractivity 102.2134 cm3
Polarizability 38.468285 Å3 Polar Surface Area 59.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.62  LOG S -1.82 
Polar Surface Area 59.73 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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