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5-cyano-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
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ChemBase ID:
410261
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Molecular Formular:
C15H15N5O2
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Molecular Mass:
297.3119
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Monoisotopic Mass:
297.12257475
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SMILES and InChIs
SMILES:
c1(cc(c(=O)[nH]c1C)C#N)C(=O)Nc1n2c(nc1)CCCC2
Canonical SMILES:
N#Cc1cc(C(=O)Nc2cnc3n2CCCC3)c([nH]c1=O)C
InChI:
InChI=1S/C15H15N5O2/c1-9-11(6-10(7-16)14(21)18-9)15(22)19-13-8-17-12-4-2-3-5-20(12)13/h6,8H,2-5H2,1H3,(H,18,21)(H,19,22)
InChIKey:
WRZRWKZLWFCVRN-UHFFFAOYSA-N
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Cite this record
CBID:410261 http://www.chembase.cn/molecule-410261.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-cyano-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
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IUPAC Traditional name
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5-cyano-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-methyl-6-oxo-1H-pyridine-3-carboxamide
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Synonyms
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5-cyano-2-methyl-6-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,6-dihydropyridine-3-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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7.406014
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-0.78066707
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LogD (pH = 7.4)
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-0.40437284
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Log P
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-0.31156173
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Molar Refractivity
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82.2363 cm3
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Polarizability
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29.453684 Å3
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Polar Surface Area
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99.81 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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4
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H Donor
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2
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Log P
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-0.01
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LOG S
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-2.94
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Polar Surface Area
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103.57 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