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N-phenyl-5-(2,2,6,6-tetramethylpiperidin-4-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
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ChemBase ID:
350137
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Molecular Formular:
C22H31N5O
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Molecular Mass:
381.51444
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Monoisotopic Mass:
381.25286064
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SMILES and InChIs
SMILES:
c1(nn2c(c1)CN(C1CC(NC(C1)(C)C)(C)C)CC2)C(=O)Nc1ccccc1
Canonical SMILES:
O=C(c1nn2c(c1)CN(CC2)C1CC(C)(C)NC(C1)(C)C)Nc1ccccc1
InChI:
InChI=1S/C22H31N5O/c1-21(2)13-18(14-22(3,4)25-21)26-10-11-27-17(15-26)12-19(24-27)20(28)23-16-8-6-5-7-9-16/h5-9,12,18,25H,10-11,13-15H2,1-4H3,(H,23,28)
InChIKey:
KKQDETOZNHPSNL-UHFFFAOYSA-N
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Cite this record
CBID:350137 http://www.chembase.cn/molecule-350137.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-phenyl-5-(2,2,6,6-tetramethylpiperidin-4-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
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IUPAC Traditional name
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N-phenyl-5-(2,2,6,6-tetramethylpiperidin-4-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
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Synonyms
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N-phenyl-5-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-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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12.555624
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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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-1.1096902
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LogD (pH = 7.4)
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-0.31792307
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Log P
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2.4888346
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Molar Refractivity
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124.8445 cm3
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Polarizability
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43.371227 Å3
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Polar Surface Area
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62.19 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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4
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H Donor
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2
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Log P
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2.76
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LOG S
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-4.34
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Polar Surface Area
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62.19 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