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N-{1-[1-(quinoline-6-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide

ChemBase ID: 865946
Molecular Formular: C22H23N5O2
Molecular Mass: 389.45032
Monoisotopic Mass: 389.185175
SMILES and InChIs

SMILES:
c1(n(ncc1)C1CCN(C(=O)c2cc3c(nccc3)cc2)CC1)NC(=O)C1CC1
Canonical SMILES:
O=C(C1CC1)Nc1ccnn1C1CCN(CC1)C(=O)c1ccc2c(c1)cccn2
InChI:
InChI=1S/C22H23N5O2/c28-21(15-3-4-15)25-20-7-11-24-27(20)18-8-12-26(13-9-18)22(29)17-5-6-19-16(14-17)2-1-10-23-19/h1-2,5-7,10-11,14-15,18H,3-4,8-9,12-13H2,(H,25,28)
InChIKey:
BHVFTHLJIAVVJR-UHFFFAOYSA-N

Cite this record

CBID:865946 http://www.chembase.cn/molecule-865946.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{1-[1-(quinoline-6-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
IUPAC Traditional name
N-{2-[1-(quinoline-6-carbonyl)piperidin-4-yl]pyrazol-3-yl}cyclopropanecarboxamide
Synonyms
N-{1-[1-(6-quinolinylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66769177 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 13.441411  H Acceptors
H Donor LogD (pH = 5.5) 1.7600855 
LogD (pH = 7.4) 1.7732618  Log P 1.7734331 
Molar Refractivity 120.791 cm3 Polarizability 42.489613 Å3
Polar Surface Area 80.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.7  LOG S -6.39 
Polar Surface Area 80.12 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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