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N-(3-ethyladamantan-1-yl)-1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
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ChemBase ID:
510040
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Molecular Formular:
C19H26N4O
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Molecular Mass:
326.43594
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Monoisotopic Mass:
326.21066147
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SMILES and InChIs
SMILES:
c1(c2n(nc1)ccn2C)C(=O)NC12CC3(CC(C1)CC(C2)C3)CC
Canonical SMILES:
CCC12CC3CC(C1)CC(C2)(C3)NC(=O)c1cnn2c1n(C)cc2
InChI:
InChI=1S/C19H26N4O/c1-3-18-7-13-6-14(8-18)10-19(9-13,12-18)21-16(24)15-11-20-23-5-4-22(2)17(15)23/h4-5,11,13-14H,3,6-10,12H2,1-2H3,(H,21,24)
InChIKey:
MGIPLVOHOFLNRG-UHFFFAOYSA-N
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Cite this record
CBID:510040 http://www.chembase.cn/molecule-510040.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(3-ethyladamantan-1-yl)-1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
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IUPAC Traditional name
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N-(3-ethyladamantan-1-yl)-1-methylpyrazolo[1,5-a]imidazole-7-carboxamide
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Synonyms
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N-(3-ethyl-1-adamantyl)-1-methyl-1H-imidazo[1,2-b]pyrazole-7-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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13.47328
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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2.99568
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LogD (pH = 7.4)
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2.9956799
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Log P
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2.9956803
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Molar Refractivity
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103.3193 cm3
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Polarizability
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35.501804 Å3
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Polar Surface Area
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51.33 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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2
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H Donor
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1
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Log P
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3.3
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LOG S
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-4.39
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Polar Surface Area
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51.33 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