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5-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
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ChemBase ID:
321789
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Molecular Formular:
C20H16FN5O
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Molecular Mass:
361.3723432
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Monoisotopic Mass:
361.13388838
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SMILES and InChIs
SMILES:
c1(c(n2c(n1)cccc2)F)C(=O)N1Cc2nc([nH]c2CC1)c1ccccc1
Canonical SMILES:
O=C(c1nc2n(c1F)cccc2)N1CCc2c(C1)nc([nH]2)c1ccccc1
InChI:
InChI=1S/C20H16FN5O/c21-18-17(24-16-8-4-5-10-26(16)18)20(27)25-11-9-14-15(12-25)23-19(22-14)13-6-2-1-3-7-13/h1-8,10H,9,11-12H2,(H,22,23)
InChIKey:
IWRIFGPQMZRZJB-UHFFFAOYSA-N
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Cite this record
CBID:321789 http://www.chembase.cn/molecule-321789.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
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IUPAC Traditional name
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5-{3-fluoroimidazo[1,2-a]pyridine-2-carbonyl}-2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridine
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Synonyms
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5-[(3-fluoroimidazo[1,2-a]pyridin-2-yl)carbonyl]-2-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
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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)
Acid pKa
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11.739896
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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1.6826063
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LogD (pH = 7.4)
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1.9142685
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Log P
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1.9182917
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Molar Refractivity
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110.0514 cm3
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Polarizability
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37.256477 Å3
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Polar Surface Area
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66.29 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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1
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Log P
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1.41
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LOG S
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-3.04
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Polar Surface Area
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66.29 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent