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7-[2-methyl-5-(propan-2-yl)furan-3-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

ChemBase ID: 450099
Molecular Formular: C16H20N4O3
Molecular Mass: 316.355
Monoisotopic Mass: 316.15354052
SMILES and InChIs

SMILES:
c1(C(=O)N2Cc3n(c(cn3)C(=O)N)CC2)cc(oc1C)C(C)C
Canonical SMILES:
O=C(c1cc(oc1C)C(C)C)N1CCn2c(C1)ncc2C(=O)N
InChI:
InChI=1S/C16H20N4O3/c1-9(2)13-6-11(10(3)23-13)16(22)19-4-5-20-12(15(17)21)7-18-14(20)8-19/h6-7,9H,4-5,8H2,1-3H3,(H2,17,21)
InChIKey:
WBNPQUKBFVINRL-UHFFFAOYSA-N

Cite this record

CBID:450099 http://www.chembase.cn/molecule-450099.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-[2-methyl-5-(propan-2-yl)furan-3-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
IUPAC Traditional name
7-(5-isopropyl-2-methylfuran-3-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
Synonyms
7-(5-isopropyl-2-methyl-3-furoyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

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)
Acid pKa 13.8725605  H Acceptors
H Donor LogD (pH = 5.5) 0.1715428 
LogD (pH = 7.4) 0.19969058  Log P 0.20006372 
Molar Refractivity 85.5162 cm3 Polarizability 31.365627 Å3
Polar Surface Area 94.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.35  LOG S -2.66 
Polar Surface Area 94.36 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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