NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-methyl-N-{1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-5-yl}butanamide
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IUPAC Traditional name
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3-methyl-N-{2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl}butanamide
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Synonyms
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3-methyl-N-{1-[1-(2-quinolinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.519818
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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0.99271846
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LogD (pH = 7.4)
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2.6909373
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Log P
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3.1506367
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Molar Refractivity
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126.317 cm3
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Polarizability
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45.53813 Å3
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Polar Surface Area
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63.05 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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2.87
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LOG S
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-5.54
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Polar Surface Area
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63.05 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent