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1-[5-(2,5-difluorobenzoyl)-1-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]-4-phenylpiperazine

ChemBase ID: 323656
Molecular Formular: C26H27F2N5O2
Molecular Mass: 479.5216864
Monoisotopic Mass: 479.21328157
SMILES and InChIs

SMILES:
c1(c2c(n(n1)CC)CCN(C(=O)c1c(ccc(c1)F)F)C2)C(=O)N1CCN(CC1)c1ccccc1
Canonical SMILES:
CCn1nc(c2c1CCN(C2)C(=O)c1cc(F)ccc1F)C(=O)N1CCN(CC1)c1ccccc1
InChI:
InChI=1S/C26H27F2N5O2/c1-2-33-23-10-11-32(25(34)20-16-18(27)8-9-22(20)28)17-21(23)24(29-33)26(35)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-9,16H,2,10-15,17H2,1H3
InChIKey:
BCEITQGDVFZNRK-UHFFFAOYSA-N

Cite this record

CBID:323656 http://www.chembase.cn/molecule-323656.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[5-(2,5-difluorobenzoyl)-1-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]-4-phenylpiperazine
IUPAC Traditional name
1-[5-(2,5-difluorobenzoyl)-1-ethyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]-4-phenylpiperazine
Synonyms
5-(2,5-difluorobenzoyl)-1-ethyl-3-[(4-phenyl-1-piperazinyl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11464741 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) 3.2154233  LogD (pH = 7.4) 3.219008 
Log P 3.219054  Molar Refractivity 141.9731 cm3
Polarizability 47.572132 Å3 Polar Surface Area 61.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.2  LOG S -6.64 
Polar Surface Area 61.68 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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