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5-ethyl-1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]

ChemBase ID: 866017
Molecular Formular: C20H32N6
Molecular Mass: 356.50828
Monoisotopic Mass: 356.26884505
SMILES and InChIs

SMILES:
C12(c3c([nH]cn3)CCN1CC)CCN(Cc1c(n(nc1)CCC)C)CC2
Canonical SMILES:
CCCn1ncc(c1C)CN1CCC2(CC1)N(CC)CCc1c2nc[nH]1
InChI:
InChI=1S/C20H32N6/c1-4-9-26-16(3)17(13-23-26)14-24-11-7-20(8-12-24)19-18(21-15-22-19)6-10-25(20)5-2/h13,15H,4-12,14H2,1-3H3,(H,21,22)
InChIKey:
UHKISFFOUSRJKW-UHFFFAOYSA-N

Cite this record

CBID:866017 http://www.chembase.cn/molecule-866017.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
IUPAC Traditional name
5-ethyl-1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-1H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
Synonyms
5-ethyl-1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-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 66780391 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.955429  H Acceptors
H Donor LogD (pH = 5.5) -2.3243203 
LogD (pH = 7.4) 0.41038844  Log P 1.4518187 
Molar Refractivity 118.5086 cm3 Polarizability 40.678875 Å3
Polar Surface Area 52.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.47  LOG S -2.05 
Polar Surface Area 52.98 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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