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4-(5-{[1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl)quinoline

ChemBase ID: 340520
Molecular Formular: C22H22N6
Molecular Mass: 370.45028
Monoisotopic Mass: 370.19059473
SMILES and InChIs

SMILES:
c12C(N(Cc3cn(nc3)CC=C)CCc1[nH]cn2)c1c2c(ncc1)cccc2
Canonical SMILES:
C=CCn1ncc(c1)CN1CCc2c(C1c1ccnc3c1cccc3)nc[nH]2
InChI:
InChI=1S/C22H22N6/c1-2-10-28-14-16(12-26-28)13-27-11-8-20-21(25-15-24-20)22(27)18-7-9-23-19-6-4-3-5-17(18)19/h2-7,9,12,14-15,22H,1,8,10-11,13H2,(H,24,25)
InChIKey:
INFSVDXWACSFTJ-UHFFFAOYSA-N

Cite this record

CBID:340520 http://www.chembase.cn/molecule-340520.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(5-{[1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl)quinoline
IUPAC Traditional name
4-(5-{[1-(prop-2-en-1-yl)pyrazol-4-yl]methyl}-1H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl)quinoline
Synonyms
4-{5-[(1-allyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl}quinoline

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13887579 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 12.938673  H Acceptors
H Donor LogD (pH = 5.5) 1.6573731 
LogD (pH = 7.4) 2.5284638  Log P 2.5864997 
Molar Refractivity 121.2887 cm3 Polarizability 43.14882 Å3
Polar Surface Area 62.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.08  LOG S -2.82 
Polar Surface Area 62.63 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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