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5-(5-methoxyfuran-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

ChemBase ID: 341397
Molecular Formular: C19H16F3N3O3
Molecular Mass: 391.3438496
Monoisotopic Mass: 391.11437605
SMILES and InChIs

SMILES:
c12c(n[nH]c2CCN(C(=O)c2oc(cc2)OC)C1)c1ccc(C(F)(F)F)cc1
Canonical SMILES:
COc1ccc(o1)C(=O)N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)C(F)(F)F
InChI:
InChI=1S/C19H16F3N3O3/c1-27-16-7-6-15(28-16)18(26)25-9-8-14-13(10-25)17(24-23-14)11-2-4-12(5-3-11)19(20,21)22/h2-7H,8-10H2,1H3,(H,23,24)
InChIKey:
UCTIGPNDGKBCFY-UHFFFAOYSA-N

Cite this record

CBID:341397 http://www.chembase.cn/molecule-341397.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(5-methoxyfuran-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
IUPAC Traditional name
5-(5-methoxyfuran-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
Synonyms
5-(5-methoxy-2-furoyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.062532  H Acceptors
H Donor LogD (pH = 5.5) 2.933782 
LogD (pH = 7.4) 2.933873  Log P 2.9338741 
Molar Refractivity 95.3726 cm3 Polarizability 35.800987 Å3
Polar Surface Area 71.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.4  LOG S -5.99 
Polar Surface Area 71.36 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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