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N-[3-(1H-pyrazol-1-yl)propyl]-2-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

ChemBase ID: 370256
Molecular Formular: C24H29N5O2
Molecular Mass: 419.51936
Monoisotopic Mass: 419.23212519
SMILES and InChIs

SMILES:
c1(C(=O)NCCCn2nccc2)c(OC2CCN(Cc3ncccc3)CC2)cccc1
Canonical SMILES:
O=C(c1ccccc1OC1CCN(CC1)Cc1ccccn1)NCCCn1cccn1
InChI:
InChI=1S/C24H29N5O2/c30-24(26-13-5-15-29-16-6-14-27-29)22-8-1-2-9-23(22)31-21-10-17-28(18-11-21)19-20-7-3-4-12-25-20/h1-4,6-9,12,14,16,21H,5,10-11,13,15,17-19H2,(H,26,30)
InChIKey:
VNUMGQRJXNAUCP-UHFFFAOYSA-N

Cite this record

CBID:370256 http://www.chembase.cn/molecule-370256.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(1H-pyrazol-1-yl)propyl]-2-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
IUPAC Traditional name
N-[3-(pyrazol-1-yl)propyl]-2-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
Synonyms
N-[3-(1H-pyrazol-1-yl)propyl]-2-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide

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 14.137445  H Acceptors
H Donor LogD (pH = 5.5) 0.1852517 
LogD (pH = 7.4) 1.6166462  Log P 1.7945102 
Molar Refractivity 131.7387 cm3 Polarizability 46.304756 Å3
Polar Surface Area 72.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.96  LOG S -5.09 
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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