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3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)propanamide
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ChemBase ID:
488755
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Molecular Formular:
C18H21N5O2
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Molecular Mass:
339.39164
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Monoisotopic Mass:
339.16952494
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SMILES and InChIs
SMILES:
c1(=O)n(c(cc(n1)C)C)CCC(=O)NCc1n2c(nc1)c(ccc2)C
Canonical SMILES:
O=C(NCc1cnc2n1cccc2C)CCn1c(C)cc(nc1=O)C
InChI:
InChI=1S/C18H21N5O2/c1-12-5-4-7-23-15(11-20-17(12)23)10-19-16(24)6-8-22-14(3)9-13(2)21-18(22)25/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,19,24)
InChIKey:
OCBPCVUBIODMLZ-UHFFFAOYSA-N
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Cite this record
CBID:488755 http://www.chembase.cn/molecule-488755.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)propanamide
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IUPAC Traditional name
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3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)propanamide
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Synonyms
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3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide
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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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15.352086
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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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-0.6513815
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LogD (pH = 7.4)
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0.067262866
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Log P
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0.11134617
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Molar Refractivity
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97.1837 cm3
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Polarizability
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35.651596 Å3
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Polar Surface Area
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79.07 Å2
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Rotatable Bonds
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5
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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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1
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Log P
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0.88
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LOG S
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-2.42
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Polar Surface Area
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81.29 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent