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N-[2-(1-benzylpiperidin-2-yl)ethyl]-1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
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ChemBase ID:
320874
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Molecular Formular:
C21H27N5O
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Molecular Mass:
365.47198
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Monoisotopic Mass:
365.22156051
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SMILES and InChIs
SMILES:
c1(c2n(nc1)ccn2C)C(=O)NCCC1N(Cc2ccccc2)CCCC1
Canonical SMILES:
O=C(c1cnn2c1n(C)cc2)NCCC1CCCCN1Cc1ccccc1
InChI:
InChI=1S/C21H27N5O/c1-24-13-14-26-21(24)19(15-23-26)20(27)22-11-10-18-9-5-6-12-25(18)16-17-7-3-2-4-8-17/h2-4,7-8,13-15,18H,5-6,9-12,16H2,1H3,(H,22,27)
InChIKey:
WIDRARNDAWPGJK-UHFFFAOYSA-N
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Cite this record
CBID:320874 http://www.chembase.cn/molecule-320874.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[2-(1-benzylpiperidin-2-yl)ethyl]-1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
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IUPAC Traditional name
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N-[2-(1-benzylpiperidin-2-yl)ethyl]-1-methylpyrazolo[1,5-a]imidazole-7-carboxamide
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Synonyms
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N-[2-(1-benzylpiperidin-2-yl)ethyl]-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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13.257303
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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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-0.40755108
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LogD (pH = 7.4)
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1.0944245
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Log P
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2.8728688
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Molar Refractivity
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117.9357 cm3
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Polarizability
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40.70703 Å3
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Polar Surface Area
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54.57 Å2
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Rotatable Bonds
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6
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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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2.2
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LOG S
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-3.74
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Polar Surface Area
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54.57 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent