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1-(1'-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl)propan-1-one

ChemBase ID: 340625
Molecular Formular: C21H24N6O2
Molecular Mass: 392.45426
Monoisotopic Mass: 392.19607404
SMILES and InChIs

SMILES:
c1(c2n(nc1)cccc2)C(=O)N1CCC2(c3c([nH]cn3)CCN2C(=O)CC)CC1
Canonical SMILES:
CCC(=O)N1CCc2c(C31CCN(CC3)C(=O)c1cnn3c1cccc3)nc[nH]2
InChI:
InChI=1S/C21H24N6O2/c1-2-18(28)26-10-6-16-19(23-14-22-16)21(26)7-11-25(12-8-21)20(29)15-13-24-27-9-4-3-5-17(15)27/h3-5,9,13-14H,2,6-8,10-12H2,1H3,(H,22,23)
InChIKey:
NFSQNLWVBWYTTA-UHFFFAOYSA-N

Cite this record

CBID:340625 http://www.chembase.cn/molecule-340625.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1'-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl)propan-1-one
IUPAC Traditional name
1-(1'-{pyrazolo[1,5-a]pyridine-3-carbonyl}-6,7-dihydro-1H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl)propan-1-one
Synonyms
5-propionyl-1'-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13904270 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 12.349973  H Acceptors
H Donor LogD (pH = 5.5) -0.0523435 
LogD (pH = 7.4) 0.39012754  Log P 0.40222204 
Molar Refractivity 119.5814 cm3 Polarizability 41.37458 Å3
Polar Surface Area 86.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.14  LOG S -3.49 
Polar Surface Area 86.6 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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