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N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-4-carboxamide

ChemBase ID: 510270
Molecular Formular: C23H26N4O4
Molecular Mass: 422.47694
Monoisotopic Mass: 422.19540533
SMILES and InChIs

SMILES:
n1(nc(cc1C)C)c1ccc(NC(=O)C2CCN(C(=O)c3oc(cc3)OC)CC2)cc1
Canonical SMILES:
COc1ccc(o1)C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)n1nc(cc1C)C
InChI:
InChI=1S/C23H26N4O4/c1-15-14-16(2)27(25-15)19-6-4-18(5-7-19)24-22(28)17-10-12-26(13-11-17)23(29)20-8-9-21(30-3)31-20/h4-9,14,17H,10-13H2,1-3H3,(H,24,28)
InChIKey:
MXBXQGLPKFITIF-UHFFFAOYSA-N

Cite this record

CBID:510270 http://www.chembase.cn/molecule-510270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-4-carboxamide
IUPAC Traditional name
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-4-carboxamide
Synonyms
N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-(5-methoxy-2-furoyl)-4-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40499630 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 15.222573  H Acceptors
H Donor LogD (pH = 5.5) 2.1859527 
LogD (pH = 7.4) 2.1872506  Log P 2.187267 
Molar Refractivity 117.7993 cm3 Polarizability 44.28567 Å3
Polar Surface Area 89.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.0  LOG S -6.47 
Polar Surface Area 89.6 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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