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{[5-(3-fluoropyridin-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amine
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ChemBase ID:
360392
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Molecular Formular:
C19H24FN7O
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Molecular Mass:
385.4385632
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Monoisotopic Mass:
385.20263664
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SMILES and InChIs
SMILES:
c12n(nc(c1)CN(Cc1nc(no1)CCC)C)CCN(c1ncccc1F)C2
Canonical SMILES:
CCCc1noc(n1)CN(Cc1nn2c(c1)CN(CC2)c1ncccc1F)C
InChI:
InChI=1S/C19H24FN7O/c1-3-5-17-22-18(28-24-17)13-25(2)11-14-10-15-12-26(8-9-27(15)23-14)19-16(20)6-4-7-21-19/h4,6-7,10H,3,5,8-9,11-13H2,1-2H3
InChIKey:
WOWKBYWIUXZAPR-UHFFFAOYSA-N
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Cite this record
CBID:360392 http://www.chembase.cn/molecule-360392.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{[5-(3-fluoropyridin-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amine
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IUPAC Traditional name
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{[5-(3-fluoropyridin-2-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amine
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Synonyms
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1-[5-(3-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
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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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6
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H Donor
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0
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LogD (pH = 5.5)
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2.7541373
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LogD (pH = 7.4)
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2.8691828
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Log P
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2.8708162
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Molar Refractivity
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116.7126 cm3
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Polarizability
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38.60677 Å3
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Polar Surface Area
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76.11 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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0
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Log P
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1.38
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LOG S
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-2.18
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Polar Surface Area
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76.11 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent