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N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(morpholin-4-yl)benzamide
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ChemBase ID:
321931
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Molecular Formular:
C18H22N4O2
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Molecular Mass:
326.39288
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Monoisotopic Mass:
326.17427596
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SMILES and InChIs
SMILES:
c1(n2c(nc1)CCCC2)NC(=O)c1c(N2CCOCC2)cccc1
Canonical SMILES:
O=C(c1ccccc1N1CCOCC1)Nc1cnc2n1CCCC2
InChI:
InChI=1S/C18H22N4O2/c23-18(20-17-13-19-16-7-3-4-8-22(16)17)14-5-1-2-6-15(14)21-9-11-24-12-10-21/h1-2,5-6,13H,3-4,7-12H2,(H,20,23)
InChIKey:
HXMZWDLKUMRJCU-UHFFFAOYSA-N
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Cite this record
CBID:321931 http://www.chembase.cn/molecule-321931.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(morpholin-4-yl)benzamide
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IUPAC Traditional name
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N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(morpholin-4-yl)benzamide
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Synonyms
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2-morpholin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
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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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14.2562685
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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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LogD (pH = 5.5)
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1.2788897
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LogD (pH = 7.4)
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1.9152324
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Log P
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1.9438075
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Molar Refractivity
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94.1364 cm3
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Polarizability
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34.710747 Å3
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Polar Surface Area
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59.39 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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0.76
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LOG S
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-2.23
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Polar Surface Area
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59.39 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