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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
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ChemBase ID:
470807
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Molecular Formular:
C20H24N6O
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Molecular Mass:
364.44416
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Monoisotopic Mass:
364.20115942
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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
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Cite this record
CBID:470807 http://www.chembase.cn/molecule-470807.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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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
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IUPAC Traditional name
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4-phenyl-2-[(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)methyl]morpholine
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Synonyms
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2-{1-[(4-phenyl-2-morpholinyl)methyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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-0.4035795
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LogD (pH = 7.4)
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1.4065623
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Log P
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1.9747889
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Molar Refractivity
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125.9613 cm3
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Polarizability
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40.29156 Å3
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Polar Surface Area
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60.14 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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-0.38
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LOG S
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-1.83
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Polar Surface Area
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60.14 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent