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N-[4-(pyridin-3-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide

ChemBase ID: 410064
Molecular Formular: C19H18F3N5O2
Molecular Mass: 405.3737296
Monoisotopic Mass: 405.1412595
SMILES and InChIs

SMILES:
c1(nn(c2c1c(Oc1cnccc1)ccc2)CC(F)(F)F)NC(=O)N1CCCC1
Canonical SMILES:
O=C(N1CCCC1)Nc1nn(c2c1c(ccc2)Oc1cccnc1)CC(F)(F)F
InChI:
InChI=1S/C19H18F3N5O2/c20-19(21,22)12-27-14-6-3-7-15(29-13-5-4-8-23-11-13)16(14)17(25-27)24-18(28)26-9-1-2-10-26/h3-8,11H,1-2,9-10,12H2,(H,24,25,28)
InChIKey:
HVYWCZIJTYSZBS-UHFFFAOYSA-N

Cite this record

CBID:410064 http://www.chembase.cn/molecule-410064.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(pyridin-3-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
IUPAC Traditional name
N-[4-(pyridin-3-yloxy)-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-1-carboxamide
Synonyms
N-[4-(pyridin-3-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.052702  H Acceptors
H Donor LogD (pH = 5.5) 2.962653 
LogD (pH = 7.4) 3.008745  Log P 3.0094666 
Molar Refractivity 112.0107 cm3 Polarizability 37.742893 Å3
Polar Surface Area 72.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.65  LOG S -5.27 
Polar Surface Area 72.28 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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