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4-(4-fluorophenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}oxane-4-carboxamide
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ChemBase ID:
470246
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Molecular Formular:
C19H22FN3O2
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Molecular Mass:
343.3952832
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Monoisotopic Mass:
343.16960518
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SMILES and InChIs
SMILES:
c1(n2c(nc1)CCCC2)NC(=O)C1(c2ccc(cc2)F)CCOCC1
Canonical SMILES:
Fc1ccc(cc1)C1(CCOCC1)C(=O)Nc1cnc2n1CCCC2
InChI:
InChI=1S/C19H22FN3O2/c20-15-6-4-14(5-7-15)19(8-11-25-12-9-19)18(24)22-17-13-21-16-3-1-2-10-23(16)17/h4-7,13H,1-3,8-12H2,(H,22,24)
InChIKey:
FGURAHVHUXYROU-UHFFFAOYSA-N
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Cite this record
CBID:470246 http://www.chembase.cn/molecule-470246.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-(4-fluorophenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}oxane-4-carboxamide
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IUPAC Traditional name
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4-(4-fluorophenyl)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}oxane-4-carboxamide
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Synonyms
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4-(4-fluorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)tetrahydro-2H-pyran-4-carboxamide
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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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13.525719
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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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1.7773247
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LogD (pH = 7.4)
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2.423623
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Log P
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2.4536157
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Molar Refractivity
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93.5259 cm3
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Polarizability
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35.115437 Å3
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Polar Surface Area
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56.15 Å2
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Rotatable Bonds
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3
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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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2.29
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LOG S
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-3.66
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Polar Surface Area
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56.15 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent