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2-[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide

ChemBase ID: 866295
Molecular Formular: C20H20N6O2
Molecular Mass: 376.4118
Monoisotopic Mass: 376.16477391
SMILES and InChIs

SMILES:
c1(n(ncc1)C)NC(=O)Cn1ncc(c2c3c(nc(cc3)C)c(cc2)OC)c1
Canonical SMILES:
COc1ccc(c2c1nc(C)cc2)c1cnn(c1)CC(=O)Nc1ccnn1C
InChI:
InChI=1S/C20H20N6O2/c1-13-4-5-16-15(6-7-17(28-3)20(16)23-13)14-10-22-26(11-14)12-19(27)24-18-8-9-21-25(18)2/h4-11H,12H2,1-3H3,(H,24,27)
InChIKey:
CQZDLZRZLFOSFU-UHFFFAOYSA-N

Cite this record

CBID:866295 http://www.chembase.cn/molecule-866295.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide
IUPAC Traditional name
2-[4-(8-methoxy-2-methylquinolin-5-yl)pyrazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide
Synonyms
2-[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrazol-1-yl]-N-(1-methyl-1H-pyrazol-5-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66831723 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.077239  H Acceptors
H Donor LogD (pH = 5.5) 1.6063759 
LogD (pH = 7.4) 1.6090856  Log P 1.6091211 
Molar Refractivity 127.5922 cm3 Polarizability 42.03404 Å3
Polar Surface Area 86.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.33  LOG S -3.94 
Polar Surface Area 86.86 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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