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5-methoxy-9-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecane

ChemBase ID: 866199
Molecular Formular: C18H23N3O3
Molecular Mass: 329.39352
Monoisotopic Mass: 329.17394161
SMILES and InChIs

SMILES:
c1(c2n(nc1)cccc2)C(=O)N1CCC2(CC1)OCCCC2OC
Canonical SMILES:
COC1CCCOC21CCN(CC2)C(=O)c1cnn2c1cccc2
InChI:
InChI=1S/C18H23N3O3/c1-23-16-6-4-12-24-18(16)7-10-20(11-8-18)17(22)14-13-19-21-9-3-2-5-15(14)21/h2-3,5,9,13,16H,4,6-8,10-12H2,1H3
InChIKey:
NARFDDGUJOLMQA-UHFFFAOYSA-N

Cite this record

CBID:866199 http://www.chembase.cn/molecule-866199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxy-9-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecane
IUPAC Traditional name
5-methoxy-9-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecane
Synonyms
5-methoxy-9-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-1-oxa-9-azaspiro[5.5]undecane

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66813977 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)
H Acceptors H Donor
LogD (pH = 5.5) 1.1047087  LogD (pH = 7.4) 1.1047192 
Log P 1.1047193  Molar Refractivity 101.4695 cm3
Polarizability 35.141228 Å3 Polar Surface Area 56.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.77  LOG S -2.26 
Polar Surface Area 56.07 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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