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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

ChemBase ID: 350137
Molecular Formular: C22H31N5O
Molecular Mass: 381.51444
Monoisotopic Mass: 381.25286064
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

Cite this record

CBID:350137 http://www.chembase.cn/molecule-350137.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-phenyl-5-(2,2,6,6-tetramethylpiperidin-4-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
IUPAC Traditional name
N-phenyl-5-(2,2,6,6-tetramethylpiperidin-4-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
Synonyms
N-phenyl-5-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.555624  H Acceptors
H Donor LogD (pH = 5.5) -1.1096902 
LogD (pH = 7.4) -0.31792307  Log P 2.4888346 
Molar Refractivity 124.8445 cm3 Polarizability 43.371227 Å3
Polar Surface Area 62.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.76  LOG S -4.34 
Polar Surface Area 62.19 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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