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4-phenyl-2-[(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)methyl]morpholine

ChemBase ID: 470807
Molecular Formular: C20H24N6O
Molecular Mass: 364.44416
Monoisotopic Mass: 364.20115942
SMILES and InChIs

SMILES:
c1(nn2c(c1)CNCC2)c1n(CC2CN(c3ccccc3)CCO2)ccn1
Canonical SMILES:
c1ccc(cc1)N1CCOC(C1)Cn1ccnc1c1nn2c(c1)CNCC2
InChI:
InChI=1S/C20H24N6O/c1-2-4-16(5-3-1)24-10-11-27-18(14-24)15-25-8-7-22-20(25)19-12-17-13-21-6-9-26(17)23-19/h1-5,7-8,12,18,21H,6,9-11,13-15H2
InChIKey:
JPUMHJTZZDIVDS-UHFFFAOYSA-N

Cite this record

CBID:470807 http://www.chembase.cn/molecule-470807.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenyl-2-[(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)methyl]morpholine
IUPAC Traditional name
4-phenyl-2-[(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)methyl]morpholine
Synonyms
2-{1-[(4-phenyl-2-morpholinyl)methyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.4035795  LogD (pH = 7.4) 1.4065623 
Log P 1.9747889  Molar Refractivity 125.9613 cm3
Polarizability 40.29156 Å3 Polar Surface Area 60.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.38  LOG S -1.83 
Polar Surface Area 60.14 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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